H2 |
Hydrogen diatomic |
1 |
Σg |
4347 |
4161 |
0.957 |
1 |
1 |
BH |
Boron monohydride |
1 |
Σ |
2276 |
2269 |
0.997 |
2 |
2 |
AlH |
aluminum monohydride |
1 |
Σ |
1586 |
1625 |
1.025 |
3 |
3 |
CH |
Methylidyne |
1 |
Σ |
2716 |
2733 |
1.006 |
4 |
4 |
|
|
1 |
Σ |
2950 |
|
|
4 |
5 |
C2 |
Carbon diatomic |
1 |
Σg |
1832 |
1827 |
0.998 |
5 |
6 |
SiH |
Silylidyne |
1 |
Σ |
1937 |
1971 |
1.017 |
6 |
7 |
Si2 |
Silicon diatomic |
1 |
Σg |
518 |
507 |
0.979 |
7 |
8 |
NH |
Imidogen |
1 |
Σ |
3123 |
3126 |
1.001 |
8 |
9 |
CN |
Cyano radical |
1 |
Σ |
2075 |
2042 |
0.984 |
9 |
10 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2335 |
2330 |
0.998 |
10 |
11 |
|
|
1 |
Σg |
1443 |
1733 |
1.201 |
10 |
12 |
SiN |
Silicon nitride |
1 |
Σ |
1132 |
1138 |
1.006 |
11 |
13 |
PH |
phosphorus monohydride |
1 |
Σ |
2261 |
2276 |
1.007 |
12 |
14 |
|
|
1 |
Σ |
2266 |
2319 |
1.023 |
12 |
15 |
CP |
Carbon monophosphide |
1 |
Σ |
1222 |
1226 |
1.003 |
13 |
16 |
PN |
Phosphorus mononitride |
1 |
Σ |
1323 |
1323 |
1.000 |
14 |
17 |
P2 |
Phosphorus diatomic |
1 |
Σg |
758 |
775 |
1.023 |
15 |
18 |
OH |
Hydroxyl radical |
1 |
Σ |
3547 |
3570 |
1.006 |
16 |
19 |
BO |
boron monoxide |
1 |
Σ |
1838 |
1862 |
1.013 |
17 |
20 |
CO |
Carbon monoxide |
1 |
Σ |
2114 |
2143 |
1.014 |
18 |
21 |
|
|
1 |
Σ |
1692 |
|
|
18 |
22 |
SiO |
Silicon monoxide |
1 |
Σ |
1182 |
1230 |
1.040 |
19 |
23 |
HS |
Mercapto radical |
1 |
Σ |
2583 |
2599 |
1.006 |
20 |
24 |
BS |
boron sulfide |
1 |
Σ |
1138 |
1167 |
1.025 |
21 |
25 |
CS |
carbon monosulfide |
1 |
Σ |
1237 |
1272 |
1.028 |
22 |
26 |
SO |
Sulfur monoxide |
1 |
Σ |
1062 |
1138 |
1.071 |
23 |
27 |
|
|
1 |
Σ |
1058 |
1054 |
0.997 |
23 |
28 |
AlS |
Aluminum sulfide |
1 |
Σ |
571 |
610 |
1.070 |
24 |
29 |
SiS |
silicon monosulfide |
1 |
Σ |
704 |
744 |
1.058 |
25 |
30 |
S2 |
Sulfur diatomic |
1 |
Σg |
663 |
720 |
1.087 |
26 |
31 |
HF |
Hydrogen fluoride |
1 |
Σ |
3928 |
3961 |
1.009 |
27 |
32 |
CF |
Fluoromethylidyne |
1 |
Σ |
1228 |
1286 |
1.047 |
28 |
33 |
NF |
nitrogen fluoride |
1 |
Σ |
1081 |
1123 |
1.039 |
29 |
34 |
F2 |
Fluorine diatomic |
1 |
Σg |
963 |
894 |
0.928 |
30 |
35 |
AlF |
Aluminum monofluoride |
1 |
Σ |
740 |
793 |
1.071 |
31 |
36 |
SiF |
silicon monofluoride |
1 |
Σ |
789 |
848 |
1.074 |
32 |
37 |
PF |
phosphorus monofluoride |
1 |
Σ |
786 |
838 |
1.065 |
33 |
38 |
SF |
Monosulfur monofluoride |
1 |
Σ |
776 |
829 |
1.067 |
34 |
39 |
HCl |
Hydrogen chloride |
1 |
Σ |
2855 |
2886 |
1.011 |
35 |
40 |
BCl |
boron monochloride |
1 |
Σ |
787 |
829 |
1.054 |
36 |
41 |
CCl |
carbon monochloride |
1 |
Σ |
804 |
866 |
1.077 |
37 |
42 |
ClO |
Monochlorine monoxide |
1 |
Σ |
806 |
843 |
1.046 |
38 |
43 |
ClF |
Chlorine monofluoride |
1 |
Σ |
730 |
773 |
1.060 |
39 |
44 |
AlCl |
Aluminum monochloride |
1 |
Σ |
439 |
478 |
1.088 |
40 |
45 |
SiCl |
Clorosilylidyne |
1 |
Σ |
487 |
531 |
1.091 |
41 |
46 |
PCl |
phosphorus chloride |
1 |
Σ |
503 |
547 |
1.087 |
42 |
47 |
SCl |
sulfur monochloride |
1 |
Σ |
525 |
577 |
1.099 |
43 |
48 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
499 |
554 |
1.112 |
44 |
49 |
BH2 |
boron dihydride |
2 |
A1 |
959 |
954 |
0.994 |
45 |
50 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1747 |
1770 |
1.013 |
46 |
51 |
|
|
2 |
A1 |
749 |
760 |
1.015 |
46 |
52 |
|
|
3 |
B2 |
1798 |
1807 |
1.005 |
46 |
53 |
SiH2 |
silicon dihydride |
1 |
A1 |
1969 |
1996 |
1.013 |
47 |
54 |
|
|
2 |
A1 |
992 |
999 |
1.007 |
47 |
55 |
|
|
3 |
B2 |
1972 |
1993 |
1.011 |
47 |
56 |
NH2 |
Amino radical |
1 |
A1 |
3222 |
3219 |
0.999 |
48 |
57 |
|
|
2 |
A1 |
1514 |
1497 |
0.989 |
48 |
58 |
|
|
3 |
B2 |
3308 |
3301 |
0.998 |
48 |
59 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3368 |
3312 |
0.983 |
49 |
60 |
|
|
2 |
Σ |
2113 |
2089 |
0.988 |
49 |
61 |
|
|
3 |
Π |
725 |
712 |
0.982 |
49 |
62 |
PH2 |
Phosphino radical |
1 |
A1 |
2273 |
2310 |
1.016 |
50 |
63 |
|
|
2 |
A1 |
1095 |
1102 |
1.006 |
50 |
64 |
HCP |
Phosphaethyne |
1 |
Σ |
3264 |
3217 |
0.985 |
51 |
65 |
|
|
2 |
Σ |
1282 |
1278 |
0.997 |
51 |
66 |
|
|
3 |
Π |
680 |
674 |
0.991 |
51 |
67 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1971 |
2095 |
1.063 |
52 |
68 |
|
|
2 |
A' |
1147 |
1188 |
1.036 |
52 |
69 |
|
|
3 |
A' |
961 |
986 |
1.025 |
52 |
70 |
H2O |
Water |
1 |
A1 |
3656 |
3657 |
1.000 |
53 |
71 |
|
|
2 |
A1 |
1611 |
1595 |
0.990 |
53 |
72 |
|
|
3 |
B2 |
3755 |
3756 |
1.000 |
53 |
73 |
HBO |
Boron hydride oxide |
1 |
Σ |
2838 |
2850 |
1.004 |
54 |
74 |
|
|
2 |
Σ |
1803 |
1826 |
1.012 |
54 |
75 |
|
|
3 |
Π |
752 |
756 |
1.006 |
54 |
76 |
HCO |
Formyl radical |
1 |
A' |
2522 |
2434 |
0.965 |
55 |
77 |
|
|
2 |
A' |
1845 |
1868 |
1.013 |
55 |
78 |
|
|
3 |
A' |
1077 |
1081 |
1.004 |
55 |
79 |
HNO |
Nitrosyl hydride |
1 |
A' |
2626 |
2684 |
1.022 |
56 |
80 |
|
|
2 |
A' |
1560 |
1565 |
1.003 |
56 |
81 |
|
|
3 |
A' |
1492 |
1501 |
1.006 |
56 |
82 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3417 |
3436 |
1.006 |
57 |
83 |
|
|
2 |
A' |
1363 |
1392 |
1.021 |
57 |
84 |
|
|
3 |
A' |
1060 |
1098 |
1.035 |
57 |
85 |
CO2 |
Carbon dioxide |
1 |
Σg |
1307 |
1333 |
1.020 |
58 |
86 |
|
|
2 |
Σu |
2328 |
2349 |
1.009 |
58 |
87 |
|
|
3 |
Πu |
634 |
667 |
1.052 |
58 |
88 |
N2O |
Nitrous oxide |
1 |
Σ |
2228 |
2224 |
0.998 |
59 |
89 |
|
|
2 |
Σ |
1260 |
1285 |
1.020 |
59 |
90 |
|
|
3 |
Π |
582 |
589 |
1.012 |
59 |
91 |
SiO2 |
silicon dioxide |
2 |
Σu |
1375 |
1416 |
1.030 |
60 |
92 |
|
|
3 |
Πu |
271 |
273 |
1.005 |
60 |
93 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2594 |
2615 |
1.008 |
61 |
94 |
|
|
2 |
A1 |
1176 |
1183 |
1.006 |
61 |
95 |
|
|
3 |
B2 |
2609 |
2626 |
1.007 |
61 |
96 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2785 |
2736 |
0.982 |
62 |
97 |
|
|
2 |
Σ |
1152 |
1172 |
1.018 |
62 |
98 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2031 |
2062 |
1.015 |
63 |
99 |
|
|
2 |
Σ |
844 |
859 |
1.018 |
63 |
100 |
|
|
3 |
Π |
501 |
520 |
1.039 |
63 |
101 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1068 |
1151 |
1.078 |
64 |
102 |
|
|
2 |
A1 |
482 |
518 |
1.075 |
64 |
103 |
|
|
3 |
B2 |
1245 |
1362 |
1.094 |
64 |
104 |
CS2 |
Carbon disulfide |
1 |
Σg |
646 |
658 |
1.019 |
65 |
105 |
|
|
2 |
Σu |
1506 |
1535 |
1.019 |
65 |
106 |
|
|
3 |
Πu |
385 |
397 |
1.032 |
65 |
107 |
SSO |
Disulfur monoxide |
1 |
A' |
1084 |
1166 |
1.076 |
66 |
108 |
|
|
2 |
A' |
619 |
679 |
1.096 |
66 |
109 |
|
|
3 |
A' |
352 |
380 |
1.080 |
66 |
110 |
HCF |
Fluoromethylene |
1 |
A' |
2633 |
2643 |
1.004 |
67 |
111 |
|
|
2 |
A' |
1400 |
1403 |
1.002 |
67 |
112 |
|
|
3 |
A' |
1129 |
1189 |
1.053 |
67 |
113 |
HOF |
Hypofluorous acid |
1 |
A' |
3573 |
3578 |
1.001 |
68 |
114 |
|
|
2 |
A' |
1333 |
1362 |
1.022 |
68 |
115 |
|
|
3 |
A' |
906 |
893 |
0.986 |
68 |
116 |
CF2 |
Difluoromethylene |
1 |
A1 |
1151 |
1225 |
1.064 |
69 |
117 |
|
|
2 |
A1 |
632 |
667 |
1.055 |
69 |
118 |
|
|
3 |
B2 |
1020 |
1114 |
1.093 |
69 |
119 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1845 |
1844 |
0.999 |
70 |
120 |
|
|
2 |
A' |
752 |
766 |
1.018 |
70 |
121 |
|
|
3 |
A' |
489 |
520 |
1.064 |
70 |
122 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1015 |
1075 |
1.059 |
71 |
123 |
|
|
2 |
A1 |
523 |
573 |
1.096 |
71 |
124 |
|
|
3 |
B2 |
838 |
942 |
1.125 |
71 |
125 |
F2O |
Difluorine monoxide |
1 |
A1 |
937 |
928 |
0.991 |
72 |
126 |
|
|
2 |
A1 |
428 |
461 |
1.076 |
72 |
127 |
|
|
3 |
B2 |
773 |
831 |
1.075 |
72 |
128 |
HOCl |
hypochlorous acid |
1 |
A' |
3614 |
3609 |
0.999 |
73 |
129 |
|
|
2 |
A' |
1220 |
1239 |
1.015 |
73 |
130 |
|
|
3 |
A' |
681 |
724 |
1.064 |
73 |
131 |
ClCN |
chlorocyanogen |
1 |
Σ |
2203 |
2216 |
1.006 |
74 |
132 |
|
|
2 |
Σ |
707 |
744 |
1.052 |
74 |
133 |
|
|
3 |
Π |
386 |
378 |
0.980 |
74 |
134 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1817 |
1800 |
0.990 |
75 |
135 |
|
|
2 |
A' |
576 |
596 |
1.035 |
75 |
136 |
|
|
3 |
A' |
314 |
332 |
1.057 |
75 |
137 |
OClO |
Chlorine dioxide |
1 |
A1 |
840 |
946 |
1.126 |
76 |
138 |
|
|
2 |
A1 |
395 |
448 |
1.133 |
76 |
139 |
|
|
3 |
B2 |
960 |
1110 |
1.157 |
76 |
140 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
607 |
639 |
1.052 |
77 |
141 |
|
|
2 |
A1 |
268 |
296 |
1.106 |
77 |
142 |
|
|
3 |
B2 |
532 |
686 |
1.290 |
77 |
143 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
474 |
522 |
1.101 |
78 |
144 |
|
|
2 |
A1 |
179 |
201 |
1.120 |
78 |
145 |
|
|
3 |
B2 |
466 |
509 |
1.093 |
78 |
146 |
ClS2 |
Sulfur chloride |
1 |
A' |
625 |
662 |
1.059 |
79 |
147 |
|
|
2 |
A' |
373 |
450 |
1.208 |
79 |
148 |
|
|
3 |
A' |
188 |
196 |
1.041 |
79 |
149 |
BH3 |
boron trihydride |
2 |
A2" |
1143 |
1148 |
1.004 |
80 |
150 |
|
|
3 |
E' |
2637 |
2602 |
0.986 |
80 |
151 |
|
|
4 |
E' |
1180 |
1197 |
1.015 |
80 |
152 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1881 |
1900 |
1.010 |
81 |
153 |
|
|
2 |
A2" |
693 |
698 |
1.007 |
81 |
154 |
|
|
3 |
E' |
1895 |
1883 |
0.994 |
81 |
155 |
|
|
4 |
E' |
771 |
783 |
1.016 |
81 |
156 |
C2H2 |
Acetylene |
1 |
Σg |
3444 |
3374 |
0.980 |
82 |
157 |
|
|
2 |
Σg |
2009 |
1974 |
0.983 |
82 |
158 |
|
|
3 |
Σu |
3346 |
3289 |
0.983 |
82 |
159 |
|
|
4 |
Πg |
586 |
612 |
1.044 |
82 |
160 |
|
|
5 |
Πu |
736 |
730 |
0.992 |
82 |
161 |
SiH3 |
Silyl radical |
1 |
A1 |
2125 |
2136 |
1.005 |
83 |
162 |
|
|
2 |
A1 |
738 |
728 |
0.986 |
83 |
163 |
|
|
3 |
E |
2172 |
2185 |
1.006 |
83 |
164 |
|
|
4 |
E |
908 |
922 |
1.015 |
83 |
165 |
NH3 |
Ammonia |
1 |
A1 |
3349 |
3337 |
0.996 |
84 |
166 |
|
|
2 |
A1 |
1064 |
950 |
0.893 |
84 |
167 |
|
|
3 |
E |
3460 |
3444 |
0.995 |
84 |
168 |
|
|
4 |
E |
1643 |
1627 |
0.990 |
84 |
169 |
C2N2 |
Cyanogen |
1 |
Σg |
2314 |
2330 |
1.007 |
85 |
170 |
|
|
2 |
Σg |
864 |
846 |
0.979 |
85 |
171 |
|
|
3 |
Σu |
2162 |
2158 |
0.998 |
85 |
172 |
|
|
4 |
Πg |
531 |
503 |
0.947 |
85 |
173 |
|
|
5 |
Πu |
243 |
234 |
0.963 |
85 |
174 |
PH3 |
Phosphine |
1 |
A1 |
2308 |
2323 |
1.006 |
86 |
175 |
|
|
2 |
A1 |
999 |
992 |
0.993 |
86 |
176 |
|
|
3 |
E |
2319 |
2328 |
1.004 |
86 |
177 |
|
|
4 |
E |
1106 |
1118 |
1.010 |
86 |
178 |
P4 |
Phosphorus tetramer |
1 |
A1 |
568 |
601 |
1.058 |
87 |
179 |
|
|
2 |
E |
346 |
361 |
1.044 |
87 |
180 |
|
|
3 |
T2 |
430 |
467 |
1.086 |
87 |
181 |
H2CO |
Formaldehyde |
1 |
A1 |
2779 |
2782 |
1.001 |
88 |
182 |
|
|
2 |
A1 |
1748 |
1746 |
0.999 |
88 |
183 |
|
|
3 |
A1 |
1497 |
1500 |
1.002 |
88 |
184 |
|
|
4 |
B1 |
1158 |
1167 |
1.007 |
88 |
185 |
|
|
5 |
B2 |
2818 |
2843 |
1.009 |
88 |
186 |
|
|
6 |
B2 |
1231 |
1249 |
1.014 |
88 |
187 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3610 |
3599 |
0.997 |
89 |
188 |
|
|
2 |
A |
1369 |
1402 |
1.024 |
89 |
189 |
|
|
3 |
A |
865 |
877 |
1.014 |
89 |
190 |
|
|
4 |
A |
347 |
371 |
1.068 |
89 |
191 |
|
|
5 |
B |
3609 |
3608 |
1.000 |
89 |
192 |
|
|
6 |
B |
1253 |
1266 |
1.011 |
89 |
193 |
HNCO |
Isocyanic acid |
1 |
A' |
3573 |
3538 |
0.990 |
90 |
194 |
|
|
2 |
A' |
2259 |
2269 |
1.004 |
90 |
195 |
|
|
3 |
A' |
1279 |
1327 |
1.037 |
90 |
196 |
|
|
4 |
A' |
797 |
777 |
0.975 |
90 |
197 |
|
|
5 |
A' |
558 |
577 |
1.034 |
90 |
198 |
|
|
6 |
A" |
603 |
656 |
1.089 |
90 |
199 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2038 |
2060 |
1.011 |
91 |
200 |
|
|
2 |
Σg |
603 |
585 |
0.971 |
91 |
201 |
|
|
3 |
Σu |
1882 |
1898 |
1.008 |
91 |
202 |
|
|
4 |
Πg |
484 |
410 |
0.848 |
91 |
203 |
|
|
5 |
Πu |
208 |
213 |
1.025 |
91 |
204 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2977 |
2971 |
0.998 |
92 |
205 |
|
|
2 |
A1 |
1454 |
1456 |
1.001 |
92 |
206 |
|
|
3 |
A1 |
1039 |
1059 |
1.019 |
92 |
207 |
|
|
4 |
B1 |
988 |
990 |
1.002 |
92 |
208 |
|
|
5 |
B2 |
3052 |
3025 |
0.991 |
92 |
209 |
|
|
6 |
B2 |
980 |
991 |
1.011 |
92 |
210 |
H2S2 |
Disulfane |
1 |
A |
2530 |
2556 |
1.010 |
93 |
211 |
|
|
2 |
A |
849 |
882 |
1.038 |
93 |
212 |
|
|
3 |
A |
464 |
515 |
1.109 |
93 |
213 |
|
|
4 |
A |
417 |
417 |
1.000 |
93 |
214 |
|
|
5 |
B |
2533 |
2559 |
1.010 |
93 |
215 |
|
|
6 |
B |
851 |
878 |
1.032 |
93 |
216 |
SO3 |
Sulfur trioxide |
1 |
A1' |
966 |
1065 |
1.103 |
94 |
217 |
|
|
2 |
A2" |
440 |
498 |
1.133 |
94 |
218 |
|
|
3 |
E' |
1277 |
1391 |
1.089 |
94 |
219 |
|
|
4 |
E' |
478 |
530 |
1.109 |
94 |
220 |
BHF2 |
Difluoroborane |
1 |
A1 |
2643 |
2621 |
0.992 |
95 |
221 |
|
|
2 |
A1 |
1130 |
1164 |
1.031 |
95 |
222 |
|
|
3 |
A1 |
522 |
542 |
1.038 |
95 |
223 |
|
|
4 |
B1 |
901 |
924 |
1.025 |
95 |
224 |
|
|
5 |
B2 |
1368 |
1402 |
1.025 |
95 |
225 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1886 |
1928 |
1.022 |
96 |
226 |
|
|
2 |
A1 |
907 |
965 |
1.064 |
96 |
227 |
|
|
3 |
A1 |
552 |
584 |
1.058 |
96 |
228 |
|
|
4 |
B1 |
736 |
774 |
1.052 |
96 |
229 |
|
|
5 |
B2 |
1138 |
1249 |
1.098 |
96 |
230 |
|
|
6 |
B2 |
587 |
626 |
1.066 |
96 |
231 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
856 |
888 |
1.038 |
97 |
232 |
|
|
2 |
A2" |
660 |
691 |
1.047 |
97 |
233 |
|
|
3 |
E' |
1400 |
1449 |
1.035 |
97 |
234 |
|
|
4 |
E' |
460 |
480 |
1.044 |
97 |
235 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1478 |
1523 |
1.030 |
98 |
236 |
|
|
2 |
Ag |
937 |
1018 |
1.087 |
98 |
237 |
|
|
3 |
Ag |
555 |
603 |
1.087 |
98 |
238 |
|
|
4 |
Au |
339 |
364 |
1.075 |
98 |
239 |
|
|
5 |
Bu |
903 |
991 |
1.097 |
98 |
240 |
|
|
6 |
Bu |
390 |
423 |
1.085 |
98 |
241 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1019 |
1089 |
1.068 |
99 |
242 |
|
|
2 |
A1 |
665 |
701 |
1.054 |
99 |
243 |
|
|
3 |
E |
1153 |
1260 |
1.093 |
99 |
244 |
|
|
4 |
E |
479 |
509 |
1.062 |
99 |
245 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
975 |
1032 |
1.059 |
100 |
246 |
|
|
2 |
A1 |
581 |
647 |
1.113 |
100 |
247 |
|
|
3 |
E |
772 |
907 |
1.174 |
100 |
248 |
|
|
4 |
E |
435 |
492 |
1.132 |
100 |
249 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
655 |
690 |
1.053 |
101 |
250 |
|
|
2 |
A2" |
281 |
297 |
1.057 |
101 |
251 |
|
|
3 |
E' |
912 |
935 |
1.025 |
101 |
252 |
|
|
4 |
E' |
231 |
263 |
1.137 |
101 |
253 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
819 |
892 |
1.089 |
102 |
254 |
|
|
2 |
A1 |
434 |
487 |
1.121 |
102 |
255 |
|
|
3 |
E |
787 |
860 |
1.093 |
102 |
256 |
|
|
4 |
E |
310 |
344 |
1.109 |
102 |
257 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2651 |
2617 |
0.987 |
103 |
258 |
|
|
2 |
A1 |
702 |
740 |
1.055 |
103 |
259 |
|
|
4 |
B1 |
763 |
784 |
1.027 |
103 |
260 |
|
|
5 |
B2 |
1061 |
1089 |
1.026 |
103 |
261 |
|
|
6 |
B2 |
854 |
892 |
1.045 |
103 |
262 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1275 |
1267 |
0.994 |
104 |
263 |
|
|
2 |
A1 |
767 |
793 |
1.034 |
104 |
264 |
|
|
3 |
A1 |
330 |
364 |
1.101 |
104 |
265 |
|
|
4 |
B1 |
621 |
652 |
1.050 |
104 |
266 |
|
|
5 |
B2 |
1696 |
1684 |
0.993 |
104 |
267 |
|
|
6 |
B2 |
372 |
408 |
1.096 |
104 |
268 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
647 |
752 |
1.162 |
105 |
269 |
|
|
2 |
A1 |
478 |
529 |
1.107 |
105 |
270 |
|
|
3 |
A1 |
242 |
328 |
1.353 |
105 |
271 |
|
|
4 |
B1 |
307 |
328 |
1.070 |
105 |
272 |
|
|
5 |
B2 |
673 |
702 |
1.042 |
105 |
273 |
|
|
6 |
B2 |
349 |
442 |
1.268 |
105 |
274 |
CCl2O |
Phosgene |
1 |
A1 |
1802 |
1827 |
1.014 |
106 |
275 |
|
|
2 |
A1 |
518 |
567 |
1.094 |
106 |
276 |
|
|
3 |
A1 |
282 |
285 |
1.009 |
106 |
277 |
|
|
4 |
B1 |
559 |
580 |
1.038 |
106 |
278 |
|
|
5 |
B2 |
745 |
849 |
1.139 |
106 |
279 |
|
|
6 |
B2 |
405 |
440 |
1.085 |
106 |
280 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
786 |
820 |
1.043 |
107 |
281 |
|
|
2 |
A1 |
481 |
500 |
1.040 |
107 |
282 |
|
|
3 |
A1 |
221 |
250 |
1.131 |
107 |
283 |
|
|
4 |
B1 |
250 |
260 |
1.042 |
107 |
284 |
|
|
5 |
B2 |
902 |
900 |
0.998 |
107 |
285 |
|
|
6 |
B2 |
176 |
200 |
1.138 |
107 |
286 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
450 |
471 |
1.047 |
108 |
287 |
|
|
2 |
A2" |
438 |
460 |
1.050 |
108 |
288 |
|
|
3 |
E' |
896 |
956 |
1.067 |
108 |
289 |
|
|
4 |
E' |
246 |
243 |
0.986 |
108 |
290 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
840 |
850 |
1.012 |
109 |
291 |
|
|
2 |
A1 |
412 |
450 |
1.093 |
109 |
292 |
|
|
3 |
A1 |
144 |
150 |
1.042 |
109 |
293 |
|
|
4 |
B1 |
223 |
220 |
0.985 |
109 |
294 |
|
|
5 |
B2 |
601 |
610 |
1.014 |
109 |
295 |
|
|
6 |
B2 |
193 |
200 |
1.035 |
109 |
296 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
362 |
375 |
1.035 |
110 |
297 |
|
|
2 |
A2" |
196 |
183 |
0.934 |
110 |
298 |
|
|
3 |
E' |
588 |
595 |
1.012 |
110 |
299 |
|
|
4 |
E' |
140 |
150 |
1.073 |
110 |
300 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
466 |
504 |
1.082 |
111 |
301 |
|
|
2 |
A1 |
229 |
252 |
1.101 |
111 |
302 |
|
|
3 |
E |
439 |
482 |
1.098 |
111 |
303 |
|
|
4 |
E |
166 |
198 |
1.195 |
111 |
304 |
CH4 |
Methane |
1 |
A1 |
2963 |
2917 |
0.984 |
112 |
305 |
|
|
2 |
E |
1526 |
1534 |
1.005 |
112 |
306 |
|
|
3 |
T2 |
3058 |
3019 |
0.987 |
112 |
307 |
|
|
4 |
T2 |
1311 |
1306 |
0.996 |
112 |
308 |
SiH4 |
Silane |
1 |
A1 |
2175 |
2187 |
1.005 |
113 |
309 |
|
|
2 |
E |
953 |
975 |
1.023 |
113 |
310 |
|
|
3 |
T2 |
2188 |
2191 |
1.001 |
113 |
311 |
|
|
4 |
T2 |
891 |
914 |
1.026 |
113 |
312 |
CH2NH |
Methanimine |
1 |
A' |
3300 |
3263 |
0.989 |
114 |
313 |
|
|
2 |
A' |
3016 |
3024 |
1.003 |
114 |
314 |
|
|
3 |
A' |
2919 |
2914 |
0.998 |
114 |
315 |
|
|
4 |
A' |
1646 |
1638 |
0.995 |
114 |
316 |
|
|
5 |
A' |
1454 |
1452 |
0.999 |
114 |
317 |
|
|
6 |
A' |
1338 |
1344 |
1.004 |
114 |
318 |
|
|
7 |
A' |
1048 |
1058 |
1.010 |
114 |
319 |
|
|
8 |
A" |
1138 |
1127 |
0.990 |
114 |
320 |
|
|
9 |
A" |
1060 |
1061 |
1.001 |
114 |
321 |
CH2CO |
Ketene |
1 |
A1 |
3106 |
3070 |
0.989 |
115 |
322 |
|
|
2 |
A1 |
2144 |
2152 |
1.004 |
115 |
323 |
|
|
3 |
A1 |
1370 |
1388 |
1.013 |
115 |
324 |
|
|
4 |
A1 |
1135 |
1118 |
0.985 |
115 |
325 |
|
|
5 |
B1 |
563 |
588 |
1.045 |
115 |
326 |
|
|
6 |
B1 |
505 |
528 |
1.046 |
115 |
327 |
|
|
7 |
B2 |
3191 |
3166 |
0.992 |
115 |
328 |
|
|
8 |
B2 |
962 |
977 |
1.015 |
115 |
329 |
|
|
9 |
B2 |
427 |
433 |
1.015 |
115 |
330 |
HCOOH |
Formic acid |
1 |
A' |
3561 |
3570 |
1.003 |
116 |
331 |
|
|
2 |
A' |
2952 |
2943 |
0.997 |
116 |
332 |
|
|
3 |
A' |
1745 |
1770 |
1.014 |
116 |
333 |
|
|
4 |
A' |
1362 |
1387 |
1.018 |
116 |
334 |
|
|
5 |
A' |
1260 |
1229 |
0.976 |
116 |
335 |
|
|
6 |
A' |
1058 |
1105 |
1.044 |
116 |
336 |
|
|
7 |
A' |
603 |
625 |
1.036 |
116 |
337 |
|
|
8 |
A" |
1006 |
1033 |
1.027 |
116 |
338 |
|
|
9 |
A" |
677 |
638 |
0.943 |
116 |
339 |
HNO3 |
Nitric acid |
1 |
A' |
3574 |
3550 |
0.993 |
117 |
340 |
|
|
2 |
A' |
1667 |
1708 |
1.025 |
117 |
341 |
|
|
3 |
A' |
1271 |
1331 |
1.047 |
117 |
342 |
|
|
4 |
A' |
1238 |
1325 |
1.070 |
117 |
343 |
|
|
5 |
A' |
821 |
879 |
1.070 |
117 |
344 |
|
|
6 |
A' |
560 |
647 |
1.156 |
117 |
345 |
|
|
7 |
A' |
533 |
579 |
1.087 |
117 |
346 |
|
|
8 |
A" |
725 |
762 |
1.050 |
117 |
347 |
|
|
9 |
A" |
464 |
456 |
0.983 |
117 |
348 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2171 |
2196 |
1.012 |
118 |
349 |
|
|
2 |
Σg |
757 |
786 |
1.038 |
118 |
350 |
|
|
3 |
Σu |
2337 |
2258 |
0.966 |
118 |
351 |
|
|
4 |
Σu |
1576 |
1573 |
0.998 |
118 |
352 |
|
|
5 |
Πg |
555 |
573 |
1.033 |
118 |
353 |
|
|
6 |
Πu |
525 |
550 |
1.048 |
118 |
354 |
|
|
7 |
Πu |
68 |
61 |
0.897 |
118 |
355 |
CH3F |
Methyl fluoride |
1 |
A1 |
2947 |
2930 |
0.994 |
119 |
356 |
|
|
2 |
A1 |
1448 |
1464 |
1.011 |
119 |
357 |
|
|
3 |
A1 |
996 |
1049 |
1.053 |
119 |
358 |
|
|
4 |
E |
3019 |
3006 |
0.996 |
119 |
359 |
|
|
5 |
E |
1454 |
1467 |
1.009 |
119 |
360 |
|
|
6 |
E |
1156 |
1182 |
1.023 |
119 |
361 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2959 |
2948 |
0.996 |
120 |
362 |
|
|
2 |
A1 |
1486 |
1508 |
1.015 |
120 |
363 |
|
|
3 |
A1 |
1051 |
1111 |
1.057 |
120 |
364 |
|
|
4 |
A1 |
500 |
529 |
1.058 |
120 |
365 |
|
|
5 |
A2 |
1223 |
1262 |
1.032 |
120 |
366 |
|
|
6 |
B1 |
3027 |
3014 |
0.996 |
120 |
367 |
|
|
7 |
B1 |
1144 |
1178 |
1.030 |
120 |
368 |
|
|
8 |
B2 |
1412 |
1435 |
1.016 |
120 |
369 |
|
|
9 |
B2 |
1006 |
1090 |
1.084 |
120 |
370 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3033 |
3036 |
1.001 |
121 |
371 |
|
|
2 |
A1 |
1077 |
1117 |
1.037 |
121 |
372 |
|
|
3 |
A1 |
660 |
700 |
1.060 |
121 |
373 |
|
|
4 |
E |
1336 |
1372 |
1.027 |
121 |
374 |
|
|
5 |
E |
1064 |
1152 |
1.082 |
121 |
375 |
|
|
6 |
E |
477 |
507 |
1.062 |
121 |
376 |
SiH3F |
monofluorosilane |
1 |
A1 |
2185 |
2206 |
1.009 |
122 |
377 |
|
|
2 |
A1 |
966 |
990 |
1.024 |
122 |
378 |
|
|
3 |
A1 |
825 |
872 |
1.057 |
122 |
379 |
|
|
4 |
E |
2197 |
2196 |
0.999 |
122 |
380 |
|
|
5 |
E |
934 |
956 |
1.023 |
122 |
381 |
|
|
6 |
E |
703 |
728 |
1.036 |
122 |
382 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3000 |
2966 |
0.989 |
123 |
383 |
|
|
2 |
A1 |
1335 |
1355 |
1.015 |
123 |
384 |
|
|
3 |
A1 |
666 |
732 |
1.099 |
123 |
385 |
|
|
4 |
E |
3091 |
3042 |
0.984 |
123 |
386 |
|
|
5 |
E |
1446 |
1455 |
1.006 |
123 |
387 |
|
|
6 |
E |
993 |
1015 |
1.022 |
123 |
388 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2184 |
2201 |
1.008 |
124 |
389 |
|
|
2 |
A1 |
923 |
949 |
1.028 |
124 |
390 |
|
|
3 |
A1 |
509 |
551 |
1.082 |
124 |
391 |
|
|
4 |
E |
2201 |
2195 |
0.997 |
124 |
392 |
|
|
5 |
E |
929 |
954 |
1.027 |
124 |
393 |
|
|
6 |
E |
637 |
664 |
1.042 |
124 |
394 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3046 |
2999 |
0.985 |
125 |
395 |
|
|
2 |
A1 |
1417 |
1467 |
1.035 |
125 |
396 |
|
|
3 |
A1 |
660 |
717 |
1.086 |
125 |
397 |
|
|
4 |
A1 |
264 |
282 |
1.068 |
125 |
398 |
|
|
5 |
A2 |
1126 |
1153 |
1.024 |
125 |
399 |
|
|
6 |
B1 |
3122 |
3040 |
0.974 |
125 |
400 |
|
|
7 |
B1 |
871 |
898 |
1.031 |
125 |
401 |
|
|
8 |
B2 |
1241 |
1268 |
1.022 |
125 |
402 |
|
|
9 |
B2 |
652 |
758 |
1.163 |
125 |
403 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2198 |
2224 |
1.012 |
126 |
404 |
|
|
2 |
A1 |
928 |
954 |
1.028 |
126 |
405 |
|
|
3 |
A1 |
489 |
527 |
1.078 |
126 |
406 |
|
|
4 |
A1 |
176 |
188 |
1.070 |
126 |
407 |
|
|
5 |
A2 |
687 |
710 |
1.033 |
126 |
408 |
|
|
6 |
B1 |
2218 |
2237 |
1.009 |
126 |
409 |
|
|
7 |
B1 |
575 |
602 |
1.048 |
126 |
410 |
|
|
8 |
B2 |
848 |
876 |
1.033 |
126 |
411 |
|
|
9 |
B2 |
545 |
590 |
1.082 |
126 |
412 |
CHCl3 |
Chloroform |
1 |
A1 |
3105 |
3034 |
0.977 |
127 |
413 |
|
|
2 |
A1 |
631 |
680 |
1.078 |
127 |
414 |
|
|
3 |
A1 |
343 |
366 |
1.068 |
127 |
415 |
|
|
4 |
E |
1186 |
1220 |
1.028 |
127 |
416 |
|
|
5 |
E |
660 |
774 |
1.172 |
127 |
417 |
|
|
6 |
E |
243 |
260 |
1.072 |
127 |
418 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2236 |
2261 |
1.011 |
128 |
419 |
|
|
2 |
A1 |
457 |
499 |
1.093 |
128 |
420 |
|
|
3 |
A1 |
233 |
254 |
1.091 |
128 |
421 |
|
|
4 |
E |
774 |
811 |
1.048 |
128 |
422 |
|
|
5 |
E |
556 |
600 |
1.079 |
128 |
423 |
|
|
6 |
E |
161 |
176 |
1.094 |
128 |
424 |
C2H4 |
Ethylene |
1 |
Ag |
3063 |
3026 |
0.988 |
129 |
425 |
|
|
2 |
Ag |
1639 |
1623 |
0.990 |
129 |
426 |
|
|
3 |
Ag |
1348 |
1342 |
0.996 |
129 |
427 |
|
|
4 |
Au |
1039 |
1023 |
0.985 |
129 |
428 |
|
|
5 |
B1u |
3052 |
2989 |
0.979 |
129 |
429 |
|
|
6 |
B1u |
1446 |
1444 |
0.999 |
129 |
430 |
|
|
7 |
B2g |
939 |
940 |
1.001 |
129 |
431 |
|
|
8 |
B2u |
3145 |
3105 |
0.987 |
129 |
432 |
|
|
9 |
B2u |
818 |
826 |
1.010 |
129 |
433 |
|
|
10 |
B3g |
3116 |
3086 |
0.990 |
129 |
434 |
|
|
11 |
B3g |
1216 |
1217 |
1.000 |
129 |
435 |
|
|
12 |
B3u |
945 |
949 |
1.004 |
129 |
436 |
C3H3 |
Propargyl radical |
1 |
A1 |
3392 |
3322 |
0.979 |
130 |
437 |
|
|
6 |
B1 |
673 |
687 |
1.022 |
130 |
438 |
|
|
7 |
B1 |
405 |
490 |
1.209 |
130 |
439 |
N2H4 |
Hydrazine |
1 |
A |
3423 |
3398 |
0.993 |
131 |
440 |
|
|
2 |
A |
3327 |
3329 |
1.001 |
131 |
441 |
|
|
3 |
A |
1639 |
1642 |
1.002 |
131 |
442 |
|
|
4 |
A |
1296 |
1275 |
0.984 |
131 |
443 |
|
|
5 |
A |
1071 |
1076 |
1.005 |
131 |
444 |
|
|
6 |
A |
761 |
780 |
1.025 |
131 |
445 |
|
|
7 |
A |
400 |
377 |
0.941 |
131 |
446 |
|
|
8 |
B |
3431 |
3350 |
0.976 |
131 |
447 |
|
|
9 |
B |
3311 |
3314 |
1.001 |
131 |
448 |
|
|
10 |
B |
1627 |
1628 |
1.000 |
131 |
449 |
|
|
11 |
B |
1263 |
1275 |
1.010 |
131 |
450 |
|
|
12 |
B |
1002 |
966 |
0.964 |
131 |
451 |
CH3CN |
Acetonitrile |
1 |
A1 |
2973 |
2954 |
0.993 |
132 |
452 |
|
|
2 |
A1 |
2269 |
2267 |
0.999 |
132 |
453 |
|
|
3 |
A1 |
1377 |
1385 |
1.006 |
132 |
454 |
|
|
4 |
A1 |
898 |
920 |
1.024 |
132 |
455 |
|
|
5 |
E |
3033 |
3009 |
0.992 |
132 |
456 |
|
|
6 |
E |
1440 |
1448 |
1.006 |
132 |
457 |
|
|
7 |
E |
1034 |
1041 |
1.006 |
132 |
458 |
|
|
8 |
E |
364 |
362 |
0.993 |
132 |
459 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2263 |
2290 |
1.012 |
133 |
460 |
|
|
2 |
Σg |
2116 |
2119 |
1.001 |
133 |
461 |
|
|
3 |
Σg |
607 |
692 |
1.141 |
133 |
462 |
|
|
4 |
Σu |
2233 |
2241 |
1.004 |
133 |
463 |
|
|
5 |
Σu |
1170 |
1154 |
0.986 |
133 |
464 |
|
|
6 |
Πg |
527 |
504 |
0.957 |
133 |
465 |
|
|
7 |
Πg |
278 |
263 |
0.946 |
133 |
466 |
|
|
8 |
Πu |
494 |
472 |
0.956 |
133 |
467 |
|
|
9 |
Πu |
111 |
107 |
0.964 |
133 |
468 |
CH3OH |
Methyl alcohol |
1 |
A' |
3678 |
3681 |
1.001 |
134 |
469 |
|
|
2 |
A' |
3024 |
3000 |
0.992 |
134 |
470 |
|
|
3 |
A' |
2904 |
2844 |
0.979 |
134 |
471 |
|
|
4 |
A' |
1473 |
1477 |
1.003 |
134 |
472 |
|
|
5 |
A' |
1441 |
1455 |
1.010 |
134 |
473 |
|
|
6 |
A' |
1343 |
1345 |
1.002 |
134 |
474 |
|
|
7 |
A' |
1050 |
1060 |
1.009 |
134 |
475 |
|
|
8 |
A' |
986 |
1033 |
1.048 |
134 |
476 |
|
|
9 |
A" |
2940 |
2960 |
1.007 |
134 |
477 |
|
|
10 |
A" |
1455 |
1477 |
1.015 |
134 |
478 |
|
|
11 |
A" |
1132 |
1165 |
1.029 |
134 |
479 |
|
|
12 |
A" |
297 |
200 |
0.673 |
134 |
480 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2830 |
2843 |
1.004 |
135 |
481 |
|
|
2 |
Ag |
1709 |
1745 |
1.021 |
135 |
482 |
|
|
3 |
Ag |
1341 |
1338 |
0.998 |
135 |
483 |
|
|
4 |
Ag |
1010 |
1065 |
1.055 |
135 |
484 |
|
|
5 |
Ag |
525 |
551 |
1.050 |
135 |
485 |
|
|
6 |
Au |
781 |
801 |
1.025 |
135 |
486 |
|
|
7 |
Au |
120 |
127 |
1.057 |
135 |
487 |
|
|
8 |
Bg |
1037 |
1048 |
1.011 |
135 |
488 |
|
|
9 |
Bu |
2823 |
2835 |
1.004 |
135 |
489 |
|
|
10 |
Bu |
1716 |
1732 |
1.009 |
135 |
490 |
|
|
11 |
Bu |
1298 |
1312 |
1.011 |
135 |
491 |
|
|
12 |
Bu |
327 |
339 |
1.038 |
135 |
492 |
CH3SH |
Methanethiol |
1 |
A' |
3061 |
3000 |
0.980 |
136 |
493 |
|
|
2 |
A' |
2983 |
2931 |
0.983 |
136 |
494 |
|
|
3 |
A' |
2580 |
2597 |
1.006 |
136 |
495 |
|
|
4 |
A' |
1453 |
1475 |
1.015 |
136 |
496 |
|
|
5 |
A' |
1317 |
1335 |
1.014 |
136 |
497 |
|
|
6 |
A' |
1062 |
1074 |
1.011 |
136 |
498 |
|
|
7 |
A' |
774 |
803 |
1.038 |
136 |
499 |
|
|
8 |
A' |
654 |
708 |
1.083 |
136 |
500 |
|
|
9 |
A" |
3060 |
3000 |
0.980 |
136 |
501 |
|
|
10 |
A" |
1442 |
1430 |
0.992 |
136 |
502 |
|
|
11 |
A" |
943 |
976 |
1.035 |
136 |
503 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3180 |
3115 |
0.980 |
137 |
504 |
|
|
2 |
A' |
3113 |
3080 |
0.990 |
137 |
505 |
|
|
3 |
A' |
3089 |
3052 |
0.988 |
137 |
506 |
|
|
4 |
A' |
1648 |
1654 |
1.004 |
137 |
507 |
|
|
5 |
A' |
1379 |
1380 |
1.000 |
137 |
508 |
|
|
6 |
A' |
1300 |
1306 |
1.004 |
137 |
509 |
|
|
7 |
A' |
1124 |
1156 |
1.029 |
137 |
510 |
|
|
8 |
A' |
903 |
929 |
1.028 |
137 |
511 |
|
|
9 |
A' |
473 |
483 |
1.021 |
137 |
512 |
|
|
10 |
A" |
929 |
940 |
1.012 |
137 |
513 |
|
|
11 |
A" |
849 |
863 |
1.017 |
137 |
514 |
|
|
12 |
A" |
707 |
711 |
1.005 |
137 |
515 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3120 |
3070 |
0.984 |
138 |
516 |
|
|
2 |
A1 |
1703 |
1728 |
1.015 |
138 |
517 |
|
|
3 |
A1 |
1379 |
1360 |
0.986 |
138 |
518 |
|
|
4 |
A1 |
894 |
926 |
1.035 |
138 |
519 |
|
|
5 |
A1 |
528 |
550 |
1.042 |
138 |
520 |
|
|
6 |
A2 |
696 |
714 |
1.026 |
138 |
521 |
|
|
7 |
B1 |
785 |
803 |
1.023 |
138 |
522 |
|
|
8 |
B1 |
603 |
611 |
1.014 |
138 |
523 |
|
|
9 |
B2 |
3215 |
3154 |
0.981 |
138 |
524 |
|
|
10 |
B2 |
1236 |
1302 |
1.053 |
138 |
525 |
|
|
11 |
B2 |
928 |
955 |
1.029 |
138 |
526 |
|
|
12 |
B2 |
429 |
438 |
1.020 |
138 |
527 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2277 |
2275 |
0.999 |
139 |
528 |
|
|
2 |
A1 |
1156 |
1227 |
1.061 |
139 |
529 |
|
|
3 |
A1 |
766 |
802 |
1.046 |
139 |
530 |
|
|
4 |
A1 |
498 |
522 |
1.049 |
139 |
531 |
|
|
5 |
E |
1095 |
1214 |
1.109 |
139 |
532 |
|
|
6 |
E |
600 |
618 |
1.031 |
139 |
533 |
|
|
7 |
E |
441 |
463 |
1.049 |
139 |
534 |
|
|
8 |
E |
187 |
196 |
1.047 |
139 |
535 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1816 |
1872 |
1.031 |
140 |
536 |
|
|
2 |
Ag |
756 |
778 |
1.030 |
140 |
537 |
|
|
3 |
Ag |
383 |
394 |
1.029 |
140 |
538 |
|
|
4 |
Au |
188 |
190 |
1.012 |
140 |
539 |
|
|
5 |
B1u |
1128 |
1186 |
1.052 |
140 |
540 |
|
|
6 |
B1u |
530 |
558 |
1.053 |
140 |
541 |
|
|
7 |
B2g |
487 |
508 |
1.043 |
140 |
542 |
|
|
8 |
B2u |
1247 |
1337 |
1.072 |
140 |
543 |
|
|
9 |
B2u |
204 |
218 |
1.068 |
140 |
544 |
|
|
10 |
B3g |
1251 |
1340 |
1.071 |
140 |
545 |
|
|
11 |
B3g |
528 |
551 |
1.043 |
140 |
546 |
|
|
12 |
B3u |
394 |
406 |
1.030 |
140 |
547 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
733 |
816 |
1.113 |
141 |
548 |
|
|
2 |
A1' |
600 |
648 |
1.079 |
141 |
549 |
|
|
3 |
A2" |
888 |
947 |
1.066 |
141 |
550 |
|
|
4 |
A2" |
529 |
575 |
1.088 |
141 |
551 |
|
|
5 |
E' |
937 |
1024 |
1.093 |
141 |
552 |
|
|
6 |
E' |
487 |
533 |
1.095 |
141 |
553 |
|
|
7 |
E' |
152 |
174 |
1.142 |
141 |
554 |
|
|
8 |
E" |
467 |
520 |
1.114 |
141 |
555 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3164 |
3121 |
0.987 |
142 |
556 |
|
|
2 |
A' |
3128 |
3086 |
0.987 |
142 |
557 |
|
|
3 |
A' |
3076 |
3030 |
0.985 |
142 |
558 |
|
|
4 |
A' |
1606 |
1608 |
1.001 |
142 |
559 |
|
|
5 |
A' |
1373 |
1368 |
0.997 |
142 |
560 |
|
|
6 |
A' |
1271 |
1279 |
1.007 |
142 |
561 |
|
|
7 |
A' |
1014 |
1030 |
1.016 |
142 |
562 |
|
|
8 |
A' |
666 |
720 |
1.082 |
142 |
563 |
|
|
9 |
A' |
387 |
395 |
1.021 |
142 |
564 |
|
|
10 |
A" |
943 |
941 |
0.998 |
142 |
565 |
|
|
11 |
A" |
886 |
896 |
1.011 |
142 |
566 |
|
|
12 |
A" |
616 |
620 |
1.006 |
142 |
567 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3095 |
3035 |
0.981 |
143 |
568 |
|
|
2 |
A1 |
1598 |
1627 |
1.018 |
143 |
569 |
|
|
3 |
A1 |
1369 |
1400 |
1.023 |
143 |
570 |
|
|
4 |
A1 |
564 |
603 |
1.069 |
143 |
571 |
|
|
5 |
A1 |
285 |
299 |
1.049 |
143 |
572 |
|
|
6 |
A2 |
668 |
686 |
1.026 |
143 |
573 |
|
|
7 |
B1 |
854 |
875 |
1.025 |
143 |
574 |
|
|
8 |
B1 |
457 |
460 |
1.007 |
143 |
575 |
|
|
9 |
B2 |
3185 |
3130 |
0.983 |
143 |
576 |
|
|
10 |
B2 |
1059 |
1095 |
1.034 |
143 |
577 |
|
|
11 |
B2 |
708 |
800 |
1.129 |
143 |
578 |
|
|
12 |
B2 |
367 |
372 |
1.014 |
143 |
579 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3142 |
3077 |
0.979 |
144 |
580 |
|
|
2 |
A1 |
1578 |
1587 |
1.006 |
144 |
581 |
|
|
3 |
A1 |
1180 |
1179 |
1.000 |
144 |
582 |
|
|
4 |
A1 |
667 |
711 |
1.065 |
144 |
583 |
|
|
5 |
A1 |
160 |
173 |
1.084 |
144 |
584 |
|
|
6 |
A2 |
857 |
876 |
1.022 |
144 |
585 |
|
|
7 |
A2 |
407 |
406 |
0.998 |
144 |
586 |
|
|
8 |
B1 |
681 |
697 |
1.023 |
144 |
587 |
|
|
9 |
B2 |
3121 |
3072 |
0.984 |
144 |
588 |
|
|
10 |
B2 |
1279 |
1303 |
1.019 |
144 |
589 |
|
|
11 |
B2 |
807 |
857 |
1.062 |
144 |
590 |
|
|
12 |
B2 |
550 |
571 |
1.038 |
144 |
591 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3147 |
3073 |
0.977 |
145 |
592 |
|
|
2 |
Ag |
1575 |
1578 |
1.002 |
145 |
593 |
|
|
3 |
Ag |
1266 |
1274 |
1.007 |
145 |
594 |
|
|
4 |
Ag |
802 |
846 |
1.055 |
145 |
595 |
|
|
5 |
Ag |
334 |
350 |
1.047 |
145 |
596 |
|
|
6 |
Au |
893 |
900 |
1.007 |
145 |
597 |
|
|
7 |
Au |
204 |
227 |
1.113 |
145 |
598 |
|
|
8 |
Bg |
757 |
763 |
1.009 |
145 |
599 |
|
|
9 |
Bu |
3145 |
3090 |
0.983 |
145 |
600 |
|
|
10 |
Bu |
1185 |
1200 |
1.012 |
145 |
601 |
|
|
11 |
Bu |
760 |
828 |
1.089 |
145 |
602 |
|
|
12 |
Bu |
229 |
250 |
1.092 |
145 |
603 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1091 |
1122 |
1.028 |
146 |
604 |
|
|
2 |
A1 |
386 |
401 |
1.038 |
146 |
605 |
|
|
3 |
A1 |
168 |
176 |
1.050 |
146 |
606 |
|
|
5 |
B2 |
693 |
728 |
1.051 |
146 |
607 |
|
|
6 |
B2 |
280 |
289 |
1.032 |
146 |
608 |
|
|
7 |
E |
851 |
917 |
1.078 |
146 |
609 |
|
|
8 |
E |
478 |
512 |
1.071 |
146 |
610 |
|
|
9 |
E |
97 |
104 |
1.070 |
146 |
611 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1538 |
1571 |
1.021 |
147 |
612 |
|
|
2 |
Ag |
421 |
447 |
1.061 |
147 |
613 |
|
|
3 |
Ag |
228 |
237 |
1.038 |
147 |
614 |
|
|
4 |
Au |
93 |
110 |
1.185 |
147 |
615 |
|
|
5 |
B1u |
727 |
777 |
1.069 |
147 |
616 |
|
|
6 |
B1u |
299 |
310 |
1.036 |
147 |
617 |
|
|
7 |
B2g |
507 |
512 |
1.011 |
147 |
618 |
|
|
8 |
B2u |
813 |
908 |
1.117 |
147 |
619 |
|
|
9 |
B2u |
170 |
176 |
1.034 |
147 |
620 |
|
|
10 |
B3g |
894 |
1000 |
1.119 |
147 |
621 |
|
|
11 |
B3g |
328 |
347 |
1.057 |
147 |
622 |
|
|
12 |
B3u |
279 |
288 |
1.032 |
147 |
623 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
340 |
394 |
1.159 |
148 |
624 |
|
|
2 |
A1' |
249 |
264 |
1.061 |
148 |
625 |
|
|
3 |
A2" |
404 |
465 |
1.151 |
148 |
626 |
|
|
4 |
A2" |
273 |
299 |
1.096 |
148 |
627 |
|
|
5 |
E' |
500 |
592 |
1.184 |
148 |
628 |
|
|
6 |
E' |
246 |
273 |
1.109 |
148 |
629 |
|
|
7 |
E' |
78 |
100 |
1.283 |
148 |
630 |
|
|
8 |
E" |
236 |
282 |
1.193 |
148 |
631 |
CH3CCH |
propyne |
1 |
A1 |
3401 |
3334 |
0.980 |
149 |
632 |
|
|
2 |
A1 |
2952 |
2918 |
0.989 |
149 |
633 |
|
|
3 |
A1 |
2158 |
2124 |
0.984 |
149 |
634 |
|
|
4 |
A1 |
1382 |
1382 |
1.000 |
149 |
635 |
|
|
5 |
A1 |
916 |
931 |
1.016 |
149 |
636 |
|
|
6 |
E |
3000 |
3008 |
1.003 |
149 |
637 |
|
|
7 |
E |
1444 |
1452 |
1.006 |
149 |
638 |
|
|
8 |
E |
1031 |
1053 |
1.022 |
149 |
639 |
|
|
9 |
E |
614 |
633 |
1.031 |
149 |
640 |
|
|
10 |
E |
325 |
328 |
1.010 |
149 |
641 |
CH2CCH2 |
allene |
1 |
A1 |
3046 |
3015 |
0.990 |
150 |
642 |
|
|
2 |
A1 |
1446 |
1443 |
0.998 |
150 |
643 |
|
|
3 |
A1 |
1081 |
1073 |
0.992 |
150 |
644 |
|
|
4 |
B1 |
863 |
865 |
1.002 |
150 |
645 |
|
|
5 |
B2 |
3042 |
3007 |
0.989 |
150 |
646 |
|
|
6 |
B2 |
1982 |
1957 |
0.987 |
150 |
647 |
|
|
7 |
B2 |
1395 |
1398 |
1.002 |
150 |
648 |
|
|
8 |
E |
3109 |
3086 |
0.993 |
150 |
649 |
|
|
9 |
E |
994 |
999 |
1.005 |
150 |
650 |
|
|
10 |
E |
830 |
841 |
1.013 |
150 |
651 |
|
|
11 |
E |
358 |
355 |
0.990 |
150 |
652 |
C3H4 |
cyclopropene |
1 |
A1 |
3208 |
3158 |
0.984 |
151 |
653 |
|
|
2 |
A1 |
2963 |
2909 |
0.982 |
151 |
654 |
|
|
3 |
A1 |
1678 |
1653 |
0.985 |
151 |
655 |
|
|
4 |
A1 |
1486 |
1483 |
0.998 |
151 |
656 |
|
|
5 |
A1 |
1106 |
1110 |
1.003 |
151 |
657 |
|
|
6 |
A1 |
894 |
905 |
1.012 |
151 |
658 |
|
|
7 |
A2 |
988 |
996 |
1.008 |
151 |
659 |
|
|
8 |
A2 |
827 |
820 |
0.991 |
151 |
660 |
|
|
9 |
B1 |
3021 |
2995 |
0.991 |
151 |
661 |
|
|
10 |
B1 |
1085 |
1088 |
1.003 |
151 |
662 |
|
|
11 |
B1 |
573 |
569 |
0.993 |
151 |
663 |
|
|
12 |
B2 |
3164 |
3124 |
0.987 |
151 |
664 |
|
|
13 |
B2 |
1033 |
1043 |
1.009 |
151 |
665 |
|
|
14 |
B2 |
997 |
1011 |
1.014 |
151 |
666 |
|
|
15 |
B2 |
741 |
769 |
1.038 |
151 |
667 |
CH3NH2 |
methyl amine |
1 |
A' |
3374 |
3361 |
0.996 |
152 |
668 |
|
|
2 |
A' |
2978 |
2961 |
0.994 |
152 |
669 |
|
|
3 |
A' |
2877 |
2820 |
0.980 |
152 |
670 |
|
|
4 |
A' |
1624 |
1623 |
0.999 |
152 |
671 |
|
|
5 |
A' |
1460 |
1473 |
1.009 |
152 |
672 |
|
|
6 |
A' |
1420 |
1430 |
1.007 |
152 |
673 |
|
|
7 |
A' |
1143 |
1130 |
0.989 |
152 |
674 |
|
|
8 |
A' |
1004 |
1044 |
1.040 |
152 |
675 |
|
|
9 |
A' |
826 |
780 |
0.944 |
152 |
676 |
|
|
10 |
A" |
3446 |
3427 |
0.995 |
152 |
677 |
|
|
11 |
A" |
3011 |
2985 |
0.992 |
152 |
678 |
|
|
12 |
A" |
1482 |
1485 |
1.002 |
152 |
679 |
|
|
13 |
A" |
1317 |
1335 |
1.014 |
152 |
680 |
|
|
14 |
A" |
953 |
|
|
152 |
681 |
|
|
15 |
A" |
298 |
268 |
0.901 |
152 |
682 |
C3H3N |
acrylonitrile |
1 |
A' |
3170 |
3125 |
0.986 |
153 |
683 |
|
|
2 |
A' |
3086 |
3078 |
0.997 |
153 |
684 |
|
|
3 |
A' |
3081 |
3042 |
0.987 |
153 |
685 |
|
|
4 |
A' |
2232 |
2239 |
1.003 |
153 |
686 |
|
|
5 |
A' |
1614 |
1615 |
1.000 |
153 |
687 |
|
|
6 |
A' |
1416 |
1416 |
1.000 |
153 |
688 |
|
|
7 |
A' |
1291 |
1282 |
0.993 |
153 |
689 |
|
|
8 |
A' |
1086 |
1096 |
1.009 |
153 |
690 |
|
|
9 |
A' |
860 |
869 |
1.010 |
153 |
691 |
|
|
10 |
A' |
565 |
570 |
1.010 |
153 |
692 |
|
|
11 |
A' |
230 |
242 |
1.050 |
153 |
693 |
|
|
12 |
A" |
977 |
972 |
0.995 |
153 |
694 |
|
|
13 |
A" |
951 |
954 |
1.004 |
153 |
695 |
|
|
14 |
A" |
691 |
683 |
0.988 |
153 |
696 |
|
|
15 |
A" |
336 |
362 |
1.077 |
153 |
697 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3058 |
3014 |
0.986 |
154 |
698 |
|
|
2 |
A' |
2947 |
2923 |
0.992 |
154 |
699 |
|
|
3 |
A' |
2757 |
2716 |
0.985 |
154 |
700 |
|
|
4 |
A' |
1735 |
1743 |
1.005 |
154 |
701 |
|
|
5 |
A' |
1425 |
1433 |
1.005 |
154 |
702 |
|
|
6 |
A' |
1385 |
1395 |
1.007 |
154 |
703 |
|
|
7 |
A' |
1338 |
1352 |
1.010 |
154 |
704 |
|
|
8 |
A' |
1093 |
1114 |
1.019 |
154 |
705 |
|
|
9 |
A' |
851 |
867 |
1.019 |
154 |
706 |
|
|
10 |
A' |
495 |
509 |
1.028 |
154 |
707 |
|
|
11 |
A" |
2993 |
2964 |
0.990 |
154 |
708 |
|
|
12 |
A" |
1434 |
1431 |
0.998 |
154 |
709 |
|
|
13 |
A" |
1098 |
1102 |
1.004 |
154 |
710 |
|
|
14 |
A" |
751 |
764 |
1.017 |
154 |
711 |
|
|
15 |
A" |
157 |
150 |
0.954 |
154 |
712 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3005 |
3006 |
1.000 |
155 |
713 |
|
|
2 |
A1 |
1494 |
1467 |
0.982 |
155 |
714 |
|
|
3 |
A1 |
1246 |
1267 |
1.017 |
155 |
715 |
|
|
4 |
A1 |
1101 |
1146 |
1.041 |
155 |
716 |
|
|
5 |
A1 |
844 |
857 |
1.016 |
155 |
717 |
|
|
6 |
A2 |
3072 |
3063 |
0.997 |
155 |
718 |
|
|
7 |
A2 |
1144 |
1050 |
0.918 |
155 |
719 |
|
|
8 |
A2 |
1007 |
1020 |
1.013 |
155 |
720 |
|
|
9 |
B1 |
3088 |
3065 |
0.992 |
155 |
721 |
|
|
10 |
B1 |
1127 |
1146 |
1.017 |
155 |
722 |
|
|
11 |
B1 |
797 |
797 |
1.000 |
155 |
723 |
|
|
12 |
B2 |
3000 |
3006 |
1.002 |
155 |
724 |
|
|
13 |
B2 |
1468 |
1459 |
0.994 |
155 |
725 |
|
|
14 |
B2 |
1109 |
1159 |
1.045 |
155 |
726 |
|
|
15 |
B2 |
777 |
824 |
1.060 |
155 |
727 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3083 |
3043 |
0.987 |
156 |
728 |
|
|
2 |
A' |
2982 |
2955 |
0.991 |
156 |
729 |
|
|
3 |
A' |
1832 |
1870 |
1.021 |
156 |
730 |
|
|
4 |
A' |
1436 |
1440 |
1.003 |
156 |
731 |
|
|
5 |
A' |
1361 |
1378 |
1.013 |
156 |
732 |
|
|
6 |
A' |
1139 |
1188 |
1.043 |
156 |
733 |
|
|
7 |
A' |
965 |
1000 |
1.037 |
156 |
734 |
|
|
8 |
A' |
777 |
826 |
1.063 |
156 |
735 |
|
|
9 |
A' |
571 |
598 |
1.048 |
156 |
736 |
|
|
10 |
A' |
401 |
420 |
1.048 |
156 |
737 |
|
|
11 |
A" |
3034 |
3004 |
0.990 |
156 |
738 |
|
|
12 |
A" |
1440 |
1437 |
0.998 |
156 |
739 |
|
|
13 |
A" |
1039 |
1054 |
1.014 |
156 |
740 |
|
|
14 |
A" |
549 |
567 |
1.033 |
156 |
741 |
|
|
15 |
A" |
126 |
123 |
0.976 |
156 |
742 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
667 |
774 |
1.160 |
157 |
743 |
|
|
2 |
Eg |
571 |
642 |
1.124 |
157 |
744 |
|
|
3 |
T1u |
849 |
948 |
1.116 |
157 |
745 |
|
|
4 |
T1u |
542 |
616 |
1.135 |
157 |
746 |
|
|
5 |
T2g |
460 |
525 |
1.142 |
157 |
747 |
|
|
6 |
T2u |
306 |
347 |
1.135 |
157 |
748 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3068 |
3027 |
0.987 |
158 |
749 |
|
|
2 |
A' |
2982 |
2948 |
0.989 |
158 |
750 |
|
|
3 |
A' |
1825 |
1818 |
0.996 |
158 |
751 |
|
|
4 |
A' |
1431 |
1415 |
0.989 |
158 |
752 |
|
|
5 |
A' |
1352 |
1368 |
1.012 |
158 |
753 |
|
|
6 |
A' |
1076 |
1108 |
1.030 |
158 |
754 |
|
|
7 |
A' |
917 |
956 |
1.043 |
158 |
755 |
|
|
8 |
A' |
567 |
604 |
1.065 |
158 |
756 |
|
|
9 |
A' |
393 |
445 |
1.132 |
158 |
757 |
|
|
10 |
A' |
327 |
348 |
1.065 |
158 |
758 |
|
|
11 |
A" |
3043 |
2990 |
0.982 |
158 |
759 |
|
|
12 |
A" |
1430 |
1431 |
1.001 |
158 |
760 |
|
|
13 |
A" |
1018 |
1032 |
1.014 |
158 |
761 |
|
|
14 |
A" |
498 |
518 |
1.040 |
158 |
762 |
|
|
15 |
A" |
124 |
166 |
1.335 |
158 |
763 |
C2H6 |
Ethane |
1 |
A1g |
2956 |
2954 |
0.999 |
159 |
764 |
|
|
2 |
A1g |
1385 |
1388 |
1.002 |
159 |
765 |
|
|
3 |
A1g |
959 |
995 |
1.037 |
159 |
766 |
|
|
4 |
A1u |
297 |
289 |
0.973 |
159 |
767 |
|
|
5 |
A2u |
2958 |
2896 |
0.979 |
159 |
768 |
|
|
6 |
A2u |
1381 |
1379 |
0.998 |
159 |
769 |
|
|
7 |
Eg |
2995 |
2969 |
0.991 |
159 |
770 |
|
|
8 |
Eg |
1469 |
1468 |
0.999 |
159 |
771 |
|
|
9 |
Eg |
1192 |
1190 |
0.999 |
159 |
772 |
|
|
10 |
Eu |
3020 |
2985 |
0.988 |
159 |
773 |
|
|
11 |
Eu |
1473 |
1469 |
0.997 |
159 |
774 |
|
|
12 |
Eu |
809 |
822 |
1.016 |
159 |
775 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2964 |
2898 |
0.978 |
160 |
776 |
|
|
2 |
A1 |
2157 |
2166 |
1.004 |
160 |
777 |
|
|
3 |
A1 |
1265 |
1260 |
0.996 |
160 |
778 |
|
|
4 |
A1 |
918 |
940 |
1.023 |
160 |
779 |
|
|
5 |
A1 |
666 |
700 |
1.052 |
160 |
780 |
|
|
6 |
A2 |
191 |
187 |
0.981 |
160 |
781 |
|
|
7 |
E |
3030 |
2982 |
0.984 |
160 |
782 |
|
|
8 |
E |
2162 |
2169 |
1.003 |
160 |
783 |
|
|
9 |
E |
1435 |
1403 |
0.978 |
160 |
784 |
|
|
10 |
E |
936 |
980 |
1.046 |
160 |
785 |
|
|
11 |
E |
870 |
868 |
0.997 |
160 |
786 |
|
|
12 |
E |
513 |
540 |
1.052 |
160 |
787 |
Si2H6 |
disilane |
1 |
A1g |
2155 |
2152 |
0.999 |
161 |
788 |
|
|
2 |
A1g |
895 |
909 |
1.015 |
161 |
789 |
|
|
3 |
A1g |
407 |
434 |
1.067 |
161 |
790 |
|
|
4 |
A1u |
131 |
131 |
1.002 |
161 |
791 |
|
|
5 |
A2u |
2147 |
2154 |
1.003 |
161 |
792 |
|
|
6 |
A2u |
825 |
844 |
1.022 |
161 |
793 |
|
|
7 |
Eg |
2160 |
2155 |
0.998 |
161 |
794 |
|
|
8 |
Eg |
918 |
929 |
1.012 |
161 |
795 |
|
|
9 |
Eg |
612 |
625 |
1.021 |
161 |
796 |
|
|
10 |
Eu |
2170 |
2179 |
1.004 |
161 |
797 |
|
|
11 |
Eu |
932 |
940 |
1.008 |
161 |
798 |
|
|
12 |
Eu |
365 |
379 |
1.039 |
161 |
799 |
C2H5N |
Aziridine |
1 |
A' |
3373 |
3338 |
0.990 |
162 |
800 |
|
|
2 |
A' |
3112 |
3079 |
0.989 |
162 |
801 |
|
|
3 |
A' |
3031 |
3015 |
0.995 |
162 |
802 |
|
|
4 |
A' |
1482 |
1482 |
1.000 |
162 |
803 |
|
|
5 |
A' |
1268 |
1237 |
0.975 |
162 |
804 |
|
|
6 |
A' |
1188 |
1211 |
1.019 |
162 |
805 |
|
|
7 |
A' |
1075 |
1090 |
1.014 |
162 |
806 |
|
|
8 |
A' |
982 |
998 |
1.017 |
162 |
807 |
|
|
9 |
A' |
830 |
856 |
1.032 |
162 |
808 |
|
|
10 |
A' |
749 |
773 |
1.033 |
162 |
809 |
|
|
11 |
A" |
3098 |
3079 |
0.994 |
162 |
810 |
|
|
12 |
A" |
3028 |
3015 |
0.996 |
162 |
811 |
|
|
13 |
A" |
1462 |
1463 |
1.001 |
162 |
812 |
|
|
14 |
A" |
1235 |
1268 |
1.027 |
162 |
813 |
|
|
15 |
A" |
1122 |
1131 |
1.008 |
162 |
814 |
|
|
16 |
A" |
1075 |
1095 |
1.019 |
162 |
815 |
|
|
17 |
A" |
888 |
904 |
1.019 |
162 |
816 |
|
|
18 |
A" |
792 |
817 |
1.032 |
162 |
817 |
CH3COOH |
Acetic acid |
1 |
A' |
3589 |
3583 |
0.998 |
163 |
818 |
|
|
2 |
A' |
3084 |
3051 |
0.989 |
163 |
819 |
|
|
3 |
A' |
2981 |
2944 |
0.988 |
163 |
820 |
|
|
4 |
A' |
1744 |
1788 |
1.025 |
163 |
821 |
|
|
5 |
A' |
1440 |
1430 |
0.993 |
163 |
822 |
|
|
6 |
A' |
1363 |
1382 |
1.014 |
163 |
823 |
|
|
7 |
A' |
1294 |
1264 |
0.977 |
163 |
824 |
|
|
8 |
A' |
1152 |
1182 |
1.026 |
163 |
825 |
|
|
9 |
A' |
958 |
989 |
1.032 |
163 |
826 |
|
|
10 |
A' |
818 |
847 |
1.036 |
163 |
827 |
|
|
11 |
A' |
561 |
657 |
1.171 |
163 |
828 |
|
|
12 |
A' |
410 |
|
|
163 |
829 |
|
|
13 |
A" |
3031 |
2996 |
0.989 |
163 |
830 |
|
|
14 |
A" |
1444 |
1430 |
0.991 |
163 |
831 |
|
|
15 |
A" |
1036 |
1048 |
1.011 |
163 |
832 |
|
|
16 |
A" |
655 |
642 |
0.980 |
163 |
833 |
|
|
17 |
A" |
531 |
534 |
1.005 |
163 |
834 |
|
|
18 |
A" |
68 |
93 |
1.364 |
163 |
835 |
CH3OCHO |
methyl formate |
1 |
A' |
3083 |
3045 |
0.988 |
164 |
836 |
|
|
2 |
A' |
2982 |
2969 |
0.996 |
164 |
837 |
|
|
3 |
A' |
2942 |
2943 |
1.000 |
164 |
838 |
|
|
4 |
A' |
1720 |
1754 |
1.019 |
164 |
839 |
|
|
5 |
A' |
1460 |
1454 |
0.996 |
164 |
840 |
|
|
6 |
A' |
1422 |
1445 |
1.016 |
164 |
841 |
|
|
7 |
A' |
1351 |
1371 |
1.014 |
164 |
842 |
|
|
8 |
A' |
1170 |
1207 |
1.032 |
164 |
843 |
|
|
9 |
A' |
1109 |
1166 |
1.052 |
164 |
844 |
|
|
10 |
A' |
866 |
925 |
1.068 |
164 |
845 |
|
|
11 |
A' |
744 |
767 |
1.031 |
164 |
846 |
|
|
12 |
A' |
286 |
318 |
1.111 |
164 |
847 |
|
|
13 |
A" |
3048 |
3012 |
0.988 |
164 |
848 |
|
|
14 |
A" |
1447 |
1443 |
0.997 |
164 |
849 |
|
|
15 |
A" |
1133 |
1168 |
1.031 |
164 |
850 |
|
|
16 |
A" |
987 |
1032 |
1.045 |
164 |
851 |
|
|
17 |
A" |
338 |
332 |
0.981 |
164 |
852 |
|
|
18 |
A" |
103 |
130 |
1.264 |
164 |
853 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1300 |
1420 |
1.092 |
165 |
854 |
|
|
2 |
A1g |
758 |
809 |
1.068 |
165 |
855 |
|
|
3 |
A1g |
326 |
349 |
1.069 |
165 |
856 |
|
|
4 |
A1u |
62 |
68 |
1.090 |
165 |
857 |
|
|
5 |
A2u |
1049 |
1117 |
1.065 |
165 |
858 |
|
|
6 |
A2u |
674 |
714 |
1.060 |
165 |
859 |
|
|
7 |
Eg |
1126 |
1237 |
1.098 |
165 |
860 |
|
|
8 |
Eg |
579 |
620 |
1.071 |
165 |
861 |
|
|
9 |
Eg |
357 |
380 |
1.065 |
165 |
862 |
|
|
10 |
Eu |
1142 |
1251 |
1.095 |
165 |
863 |
|
|
11 |
Eu |
492 |
523 |
1.063 |
165 |
864 |
|
|
12 |
Eu |
205 |
216 |
1.052 |
165 |
865 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3021 |
2967 |
0.982 |
166 |
866 |
|
|
2 |
A' |
3007 |
2946 |
0.980 |
166 |
867 |
|
|
3 |
A' |
2957 |
2881 |
0.974 |
166 |
868 |
|
|
4 |
A' |
1468 |
1463 |
0.996 |
166 |
869 |
|
|
5 |
A' |
1456 |
1448 |
0.994 |
166 |
870 |
|
|
6 |
A' |
1380 |
1385 |
1.004 |
166 |
871 |
|
|
7 |
A' |
1273 |
1289 |
1.013 |
166 |
872 |
|
|
8 |
A' |
1052 |
1081 |
1.027 |
166 |
873 |
|
|
9 |
A' |
943 |
974 |
1.033 |
166 |
874 |
|
|
10 |
A' |
610 |
677 |
1.109 |
166 |
875 |
|
|
11 |
A' |
318 |
336 |
1.058 |
166 |
876 |
|
|
12 |
A" |
3065 |
3014 |
0.983 |
166 |
877 |
|
|
13 |
A" |
3034 |
2986 |
0.984 |
166 |
878 |
|
|
14 |
A" |
1450 |
1448 |
0.999 |
166 |
879 |
|
|
15 |
A" |
1240 |
1251 |
1.009 |
166 |
880 |
|
|
16 |
A" |
1040 |
974 |
0.937 |
166 |
881 |
|
|
17 |
A" |
773 |
786 |
1.016 |
166 |
882 |
|
|
18 |
A" |
248 |
251 |
1.013 |
166 |
883 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3024 |
2957 |
0.978 |
167 |
884 |
|
|
1 |
A |
3055 |
3005 |
0.984 |
167 |
885 |
|
|
2 |
A |
3004 |
2957 |
0.984 |
167 |
886 |
|
|
2 |
Ag |
1455 |
1445 |
0.993 |
167 |
887 |
|
|
3 |
Ag |
1279 |
1304 |
1.020 |
167 |
888 |
|
|
3 |
A |
1431 |
1433 |
1.001 |
167 |
889 |
|
|
4 |
A |
1292 |
1315 |
1.018 |
167 |
890 |
|
|
4 |
Ag |
1019 |
1052 |
1.032 |
167 |
891 |
|
|
5 |
Ag |
691 |
754 |
1.091 |
167 |
892 |
|
|
5 |
A |
1180 |
1207 |
1.023 |
167 |
893 |
|
|
6 |
A |
1004 |
1027 |
1.023 |
167 |
894 |
|
|
6 |
Ag |
281 |
300 |
1.069 |
167 |
895 |
|
|
7 |
Au |
3098 |
3005 |
0.970 |
167 |
896 |
|
|
7 |
A |
911 |
948 |
1.041 |
167 |
897 |
|
|
8 |
Au |
1096 |
1123 |
1.025 |
167 |
898 |
|
|
8 |
A |
609 |
669 |
1.098 |
167 |
899 |
|
|
9 |
A |
249 |
272 |
1.093 |
167 |
900 |
|
|
9 |
Au |
761 |
773 |
1.015 |
167 |
901 |
|
|
10 |
Au |
110 |
123 |
1.123 |
167 |
902 |
|
|
10 |
A |
104 |
125 |
1.198 |
167 |
903 |
|
|
11 |
B |
3069 |
3005 |
0.979 |
167 |
904 |
|
|
11 |
Bg |
3074 |
3005 |
0.978 |
167 |
905 |
|
|
12 |
Bg |
1257 |
1264 |
1.006 |
167 |
906 |
|
|
12 |
B |
2995 |
2957 |
0.987 |
167 |
907 |
|
|
13 |
B |
1431 |
1436 |
1.003 |
167 |
908 |
|
|
13 |
Bg |
971 |
989 |
1.018 |
167 |
909 |
|
|
14 |
Bu |
3034 |
2983 |
0.983 |
167 |
910 |
|
|
14 |
B |
1272 |
1292 |
1.016 |
167 |
911 |
|
|
15 |
B |
1121 |
1146 |
1.023 |
167 |
912 |
|
|
15 |
Bu |
1459 |
1461 |
1.002 |
167 |
913 |
|
|
16 |
Bu |
1212 |
1232 |
1.016 |
167 |
914 |
|
|
16 |
B |
863 |
890 |
1.031 |
167 |
915 |
|
|
17 |
B |
631 |
693 |
1.099 |
167 |
916 |
|
|
17 |
Bu |
650 |
728 |
1.120 |
167 |
917 |
|
|
18 |
Bu |
203 |
222 |
1.091 |
167 |
918 |
|
|
18 |
B |
391 |
410 |
1.049 |
167 |
919 |
C3H6 |
Cyclopropane |
1 |
A1' |
3059 |
3038 |
0.993 |
168 |
920 |
|
|
2 |
A1' |
1476 |
1479 |
1.002 |
168 |
921 |
|
|
3 |
A1' |
1170 |
1188 |
1.015 |
168 |
922 |
|
|
4 |
A1" |
1123 |
1126 |
1.003 |
168 |
923 |
|
|
5 |
A2' |
1057 |
1070 |
1.012 |
168 |
924 |
|
|
6 |
A2" |
3144 |
3103 |
0.987 |
168 |
925 |
|
|
7 |
A2" |
844 |
854 |
1.012 |
168 |
926 |
|
|
8 |
E' |
3054 |
3025 |
0.991 |
168 |
927 |
|
|
9 |
E' |
1442 |
1438 |
0.997 |
168 |
928 |
|
|
10 |
E' |
1019 |
1029 |
1.010 |
168 |
929 |
|
|
11 |
E' |
842 |
866 |
1.028 |
168 |
930 |
|
|
12 |
E" |
3122 |
3082 |
0.987 |
168 |
931 |
|
|
13 |
E" |
1182 |
1188 |
1.005 |
168 |
932 |
|
|
14 |
E" |
725 |
739 |
1.019 |
168 |
933 |
CH2CHCH3 |
Propene |
1 |
A' |
3131 |
3090 |
0.987 |
169 |
934 |
|
|
2 |
A' |
3053 |
3013 |
0.987 |
169 |
935 |
|
|
3 |
A' |
3045 |
2991 |
0.982 |
169 |
936 |
|
|
4 |
A' |
3014 |
2954 |
0.980 |
169 |
937 |
|
|
5 |
A' |
2941 |
2871 |
0.976 |
169 |
938 |
|
|
6 |
A' |
1653 |
1650 |
0.998 |
169 |
939 |
|
|
7 |
A' |
1460 |
1470 |
1.007 |
169 |
940 |
|
|
8 |
A' |
1417 |
1420 |
1.002 |
169 |
941 |
|
|
9 |
A' |
1375 |
1378 |
1.002 |
169 |
942 |
|
|
10 |
A' |
1300 |
1297 |
0.998 |
169 |
943 |
|
|
11 |
A' |
1161 |
1171 |
1.009 |
169 |
944 |
|
|
12 |
A' |
929 |
963 |
1.037 |
169 |
945 |
|
|
13 |
A' |
895 |
920 |
1.028 |
169 |
946 |
|
|
14 |
A' |
417 |
428 |
1.027 |
169 |
947 |
|
|
15 |
A" |
2974 |
2954 |
0.993 |
169 |
948 |
|
|
16 |
A" |
1445 |
1443 |
0.999 |
169 |
949 |
|
|
17 |
A" |
1042 |
1045 |
1.003 |
169 |
950 |
|
|
18 |
A" |
999 |
991 |
0.992 |
169 |
951 |
|
|
19 |
A" |
907 |
912 |
1.005 |
169 |
952 |
|
|
20 |
A" |
575 |
578 |
1.006 |
169 |
953 |
|
|
21 |
A" |
202 |
174 |
0.862 |
169 |
954 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3084 |
3042 |
0.986 |
170 |
955 |
|
|
2 |
A1' |
1124 |
1132 |
1.007 |
170 |
956 |
|
|
3 |
A1' |
964 |
992 |
1.029 |
170 |
957 |
|
|
4 |
A2' |
1366 |
1278 |
0.936 |
170 |
958 |
|
|
5 |
A2' |
1116 |
1068 |
0.957 |
170 |
959 |
|
|
6 |
A2" |
910 |
925 |
1.017 |
170 |
960 |
|
|
7 |
A2" |
741 |
737 |
0.994 |
170 |
961 |
|
|
8 |
E' |
3078 |
3056 |
0.993 |
170 |
962 |
|
|
9 |
E' |
1509 |
1555 |
1.030 |
170 |
963 |
|
|
10 |
E' |
1389 |
1410 |
1.015 |
170 |
964 |
|
|
11 |
E' |
1147 |
1176 |
1.025 |
170 |
965 |
|
|
12 |
E' |
671 |
657 |
0.979 |
170 |
966 |
|
|
13 |
E" |
1004 |
830 |
0.826 |
170 |
967 |
|
|
14 |
E" |
324 |
340 |
1.049 |
170 |
968 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3030 |
2996 |
0.989 |
171 |
969 |
|
|
2 |
A1 |
2890 |
2817 |
0.975 |
171 |
970 |
|
|
3 |
A1 |
1478 |
1464 |
0.990 |
171 |
971 |
|
|
4 |
A1 |
1447 |
1452 |
1.003 |
171 |
972 |
|
|
5 |
A1 |
1227 |
1244 |
1.014 |
171 |
973 |
|
|
6 |
A1 |
885 |
928 |
1.049 |
171 |
974 |
|
|
7 |
A1 |
399 |
418 |
1.048 |
171 |
975 |
|
|
8 |
A2 |
2919 |
2952 |
1.011 |
171 |
976 |
|
|
9 |
A2 |
1442 |
1464 |
1.015 |
171 |
977 |
|
|
10 |
A2 |
1125 |
1150 |
1.022 |
171 |
978 |
|
|
11 |
A2 |
209 |
203 |
0.971 |
171 |
979 |
|
|
12 |
B1 |
2914 |
2925 |
1.004 |
171 |
980 |
|
|
13 |
B1 |
1450 |
1464 |
1.010 |
171 |
981 |
|
|
14 |
B1 |
1155 |
1179 |
1.021 |
171 |
982 |
|
|
15 |
B1 |
236 |
242 |
1.024 |
171 |
983 |
|
|
16 |
B2 |
3029 |
2996 |
0.989 |
171 |
984 |
|
|
17 |
B2 |
2877 |
2817 |
0.979 |
171 |
985 |
|
|
18 |
B2 |
1460 |
1464 |
1.003 |
171 |
986 |
|
|
19 |
B2 |
1418 |
1452 |
1.024 |
171 |
987 |
|
|
20 |
B2 |
1136 |
1227 |
1.080 |
171 |
988 |
|
|
21 |
B2 |
1064 |
1102 |
1.036 |
171 |
989 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3018 |
2966 |
0.983 |
172 |
990 |
|
|
1 |
A |
3038 |
2980 |
0.981 |
172 |
991 |
|
|
2 |
A |
3015 |
2967 |
0.984 |
172 |
992 |
|
|
2 |
A' |
2983 |
2872 |
0.963 |
172 |
993 |
|
|
3 |
A' |
2962 |
2872 |
0.970 |
172 |
994 |
|
|
3 |
A |
3006 |
2930 |
0.975 |
172 |
995 |
|
|
4 |
A |
2983 |
2902 |
0.973 |
172 |
996 |
|
|
4 |
A' |
2582 |
2580 |
0.999 |
172 |
997 |
|
|
5 |
A' |
1471 |
1453 |
0.988 |
172 |
998 |
|
|
5 |
A |
2952 |
2875 |
0.974 |
172 |
999 |
|
|
6 |
A |
2578 |
2591 |
1.005 |
172 |
1000 |
|
|
6 |
A' |
1455 |
1453 |
0.998 |
172 |
1001 |
|
|
7 |
A' |
1381 |
1385 |
1.003 |
172 |
1002 |
|
|
7 |
A |
1466 |
1462 |
0.997 |
172 |
1003 |
|
|
8 |
A |
1456 |
1452 |
0.997 |
172 |
1004 |
|
|
8 |
A' |
1259 |
1309 |
1.040 |
172 |
1005 |
|
|
9 |
A' |
1075 |
1097 |
1.020 |
172 |
1006 |
|
|
9 |
A |
1444 |
1437 |
0.995 |
172 |
1007 |
|
|
10 |
A |
1378 |
1377 |
0.999 |
172 |
1008 |
|
|
10 |
A' |
956 |
978 |
1.023 |
172 |
1009 |
|
|
11 |
A' |
826 |
870 |
1.053 |
172 |
1010 |
|
|
11 |
A |
1267 |
1269 |
1.002 |
172 |
1011 |
|
|
12 |
A |
1247 |
1246 |
0.999 |
172 |
1012 |
|
|
12 |
A' |
620 |
660 |
1.064 |
172 |
1013 |
|
|
13 |
A' |
291 |
332 |
1.141 |
172 |
1014 |
|
|
13 |
A |
1088 |
1093 |
1.005 |
172 |
1015 |
|
|
14 |
A |
1030 |
1051 |
1.020 |
172 |
1016 |
|
|
14 |
A" |
3037 |
2966 |
0.977 |
172 |
1017 |
|
|
15 |
A" |
3012 |
2930 |
0.973 |
172 |
1018 |
|
|
15 |
A |
944 |
970 |
1.028 |
172 |
1019 |
|
|
16 |
A |
850 |
867 |
1.020 |
172 |
1020 |
|
|
16 |
A" |
1460 |
1453 |
0.995 |
172 |
1021 |
|
|
17 |
A" |
1237 |
1269 |
1.026 |
172 |
1022 |
|
|
17 |
A |
717 |
735 |
1.026 |
172 |
1023 |
|
|
18 |
A |
607 |
658 |
1.083 |
172 |
1024 |
|
|
18 |
A" |
1013 |
1049 |
1.036 |
172 |
1025 |
|
|
19 |
A" |
774 |
745 |
0.963 |
172 |
1026 |
|
|
19 |
A |
315 |
319 |
1.012 |
172 |
1027 |
|
|
20 |
A |
248 |
|
|
172 |
1028 |
|
|
21 |
A |
200 |
|
|
172 |
1029 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3049 |
2997 |
0.983 |
173 |
1030 |
|
|
2 |
A1 |
2957 |
2925 |
0.989 |
173 |
1031 |
|
|
3 |
A1 |
1451 |
1447 |
0.997 |
173 |
1032 |
|
|
4 |
A1 |
1325 |
1337 |
1.009 |
173 |
1033 |
|
|
5 |
A1 |
1020 |
1030 |
1.010 |
173 |
1034 |
|
|
6 |
A1 |
640 |
695 |
1.086 |
173 |
1035 |
|
|
7 |
A1 |
253 |
280 |
1.108 |
173 |
1036 |
|
|
8 |
A2 |
3028 |
2970 |
0.981 |
173 |
1037 |
|
|
9 |
A2 |
1430 |
1427 |
0.998 |
173 |
1038 |
|
|
10 |
A2 |
924 |
946 |
1.024 |
173 |
1039 |
|
|
11 |
A2 |
176 |
175 |
0.994 |
173 |
1040 |
|
|
12 |
B1 |
3020 |
2970 |
0.983 |
173 |
1041 |
|
|
13 |
B1 |
1438 |
1439 |
1.001 |
173 |
1042 |
|
|
14 |
B1 |
958 |
973 |
1.016 |
173 |
1043 |
|
|
15 |
B1 |
172 |
183 |
1.067 |
173 |
1044 |
|
|
16 |
B2 |
3050 |
2999 |
0.983 |
173 |
1045 |
|
|
17 |
B2 |
2960 |
2919 |
0.986 |
173 |
1046 |
|
|
18 |
B2 |
1445 |
1442 |
0.998 |
173 |
1047 |
|
|
19 |
B2 |
1301 |
1315 |
1.011 |
173 |
1048 |
|
|
20 |
B2 |
887 |
903 |
1.018 |
173 |
1049 |
|
|
21 |
B2 |
687 |
742 |
1.080 |
173 |
1050 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3145 |
3087 |
0.982 |
174 |
1051 |
|
|
2 |
Ag |
3063 |
3003 |
0.980 |
174 |
1052 |
|
|
3 |
Ag |
3043 |
2992 |
0.983 |
174 |
1053 |
|
|
4 |
Ag |
1637 |
1630 |
0.996 |
174 |
1054 |
|
|
5 |
Ag |
1445 |
1438 |
0.995 |
174 |
1055 |
|
|
6 |
Ag |
1285 |
1280 |
0.996 |
174 |
1056 |
|
|
7 |
Ag |
1199 |
1196 |
0.997 |
174 |
1057 |
|
|
8 |
Ag |
879 |
894 |
1.017 |
174 |
1058 |
|
|
9 |
Ag |
509 |
512 |
1.005 |
174 |
1059 |
|
|
10 |
Au |
1026 |
1013 |
0.987 |
174 |
1060 |
|
|
11 |
Au |
899 |
908 |
1.010 |
174 |
1061 |
|
|
12 |
Au |
525 |
522 |
0.995 |
174 |
1062 |
|
|
13 |
Au |
174 |
162 |
0.929 |
174 |
1063 |
|
|
14 |
Bg |
966 |
976 |
1.010 |
174 |
1064 |
|
|
15 |
Bg |
901 |
912 |
1.012 |
174 |
1065 |
|
|
16 |
Bg |
760 |
770 |
1.014 |
174 |
1066 |
|
|
17 |
Bu |
3145 |
3101 |
0.986 |
174 |
1067 |
|
|
18 |
Bu |
3062 |
3055 |
0.998 |
174 |
1068 |
|
|
19 |
Bu |
3055 |
2984 |
0.977 |
174 |
1069 |
|
|
20 |
Bu |
1597 |
1596 |
0.999 |
174 |
1070 |
|
|
21 |
Bu |
1384 |
1381 |
0.998 |
174 |
1071 |
|
|
22 |
Bu |
1294 |
1294 |
1.000 |
174 |
1072 |
|
|
23 |
Bu |
985 |
990 |
1.005 |
174 |
1073 |
|
|
24 |
Bu |
297 |
301 |
1.013 |
174 |
1074 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2945 |
2916 |
0.990 |
175 |
1075 |
|
|
2 |
A1' |
2284 |
2240 |
0.981 |
175 |
1076 |
|
|
3 |
A1' |
1386 |
1380 |
0.996 |
175 |
1077 |
|
|
4 |
A1' |
703 |
725 |
1.031 |
175 |
1078 |
|
|
6 |
A2" |
2945 |
2938 |
0.998 |
175 |
1079 |
|
|
7 |
A2" |
1381 |
1382 |
1.001 |
175 |
1080 |
|
|
8 |
A2" |
1136 |
1152 |
1.014 |
175 |
1081 |
|
|
9 |
E' |
2989 |
2973 |
0.995 |
175 |
1082 |
|
|
10 |
E' |
1446 |
1456 |
1.007 |
175 |
1083 |
|
|
11 |
E' |
1041 |
1054 |
1.013 |
175 |
1084 |
|
|
12 |
E' |
195 |
213 |
1.095 |
175 |
1085 |
|
|
13 |
E" |
2990 |
2966 |
0.992 |
175 |
1086 |
|
|
14 |
E" |
1446 |
1448 |
1.002 |
175 |
1087 |
|
|
15 |
E" |
1018 |
1029 |
1.011 |
175 |
1088 |
|
|
16 |
E" |
364 |
371 |
1.019 |
175 |
1089 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3042 |
3061 |
1.006 |
176 |
1090 |
|
|
2 |
A' |
3035 |
3010 |
0.992 |
176 |
1091 |
|
|
3 |
A' |
3025 |
2965 |
0.980 |
176 |
1092 |
|
|
4 |
A' |
2948 |
2905 |
0.986 |
176 |
1093 |
|
|
5 |
A' |
1982 |
1970 |
0.994 |
176 |
1094 |
|
|
6 |
A' |
1467 |
1453 |
0.990 |
176 |
1095 |
|
|
7 |
A' |
1437 |
1437 |
1.000 |
176 |
1096 |
|
|
8 |
A' |
1370 |
1389 |
1.014 |
176 |
1097 |
|
|
9 |
A' |
1327 |
1330 |
1.002 |
176 |
1098 |
|
|
10 |
A' |
1118 |
1132 |
1.012 |
176 |
1099 |
|
|
11 |
A' |
1060 |
1074 |
1.013 |
176 |
1100 |
|
|
12 |
A' |
850 |
876 |
1.030 |
176 |
1101 |
|
|
13 |
A' |
835 |
859 |
1.028 |
176 |
1102 |
|
|
14 |
A' |
555 |
555 |
1.000 |
176 |
1103 |
|
|
15 |
A' |
205 |
210 |
1.024 |
176 |
1104 |
|
|
16 |
A" |
3097 |
3061 |
0.988 |
176 |
1105 |
|
|
17 |
A" |
2985 |
2965 |
0.993 |
176 |
1106 |
|
|
18 |
A" |
1449 |
1453 |
1.003 |
176 |
1107 |
|
|
19 |
A" |
1032 |
1110 |
1.076 |
176 |
1108 |
|
|
20 |
A" |
998 |
1011 |
1.013 |
176 |
1109 |
|
|
21 |
A" |
870 |
842 |
0.968 |
176 |
1110 |
|
|
22 |
A" |
523 |
523 |
1.000 |
176 |
1111 |
|
|
23 |
A" |
327 |
322 |
0.984 |
176 |
1112 |
C4H6 |
Cyclobutene |
1 |
A1 |
3115 |
3060 |
0.982 |
177 |
1113 |
|
|
2 |
A1 |
2962 |
2935 |
0.991 |
177 |
1114 |
|
|
3 |
A1 |
1576 |
1570 |
0.996 |
177 |
1115 |
|
|
4 |
A1 |
1447 |
1450 |
1.002 |
177 |
1116 |
|
|
5 |
A1 |
1172 |
1276 |
1.089 |
177 |
1117 |
|
|
6 |
A1 |
1096 |
1186 |
1.082 |
177 |
1118 |
|
|
7 |
A1 |
966 |
1113 |
1.153 |
177 |
1119 |
|
|
8 |
A1 |
843 |
886 |
1.051 |
177 |
1120 |
|
|
9 |
A2 |
2986 |
2955 |
0.989 |
177 |
1121 |
|
|
10 |
A2 |
1135 |
1276 |
1.124 |
177 |
1122 |
|
|
11 |
A2 |
1011 |
1081 |
1.069 |
177 |
1123 |
|
|
12 |
A2 |
902 |
850 |
0.942 |
177 |
1124 |
|
|
13 |
A2 |
318 |
325 |
1.021 |
177 |
1125 |
|
|
14 |
B1 |
3000 |
2955 |
0.985 |
177 |
1126 |
|
|
15 |
B1 |
1067 |
1074 |
1.007 |
177 |
1127 |
|
|
16 |
B1 |
844 |
846 |
1.002 |
177 |
1128 |
|
|
17 |
B1 |
629 |
635 |
1.009 |
177 |
1129 |
|
|
18 |
B2 |
3084 |
3047 |
0.988 |
177 |
1130 |
|
|
19 |
B2 |
2957 |
2916 |
0.986 |
177 |
1131 |
|
|
20 |
B2 |
1432 |
1427 |
0.996 |
177 |
1132 |
|
|
21 |
B2 |
1278 |
1294 |
1.013 |
177 |
1133 |
|
|
22 |
B2 |
1203 |
1214 |
1.009 |
177 |
1134 |
|
|
23 |
B2 |
863 |
888 |
1.029 |
177 |
1135 |
|
|
24 |
B2 |
843 |
740 |
0.877 |
177 |
1136 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3047 |
3010 |
0.988 |
178 |
1137 |
|
|
2 |
A1 |
3027 |
3002 |
0.992 |
178 |
1138 |
|
|
3 |
A1 |
1762 |
1743 |
0.989 |
178 |
1139 |
|
|
4 |
A1 |
1448 |
1437 |
0.992 |
178 |
1140 |
|
|
5 |
A1 |
1413 |
1410 |
0.998 |
178 |
1141 |
|
|
6 |
A1 |
1022 |
1036 |
1.014 |
178 |
1142 |
|
|
7 |
A1 |
997 |
1002 |
1.005 |
178 |
1143 |
|
|
8 |
A1 |
707 |
723 |
1.023 |
178 |
1144 |
|
|
9 |
A2 |
3091 |
3051 |
0.987 |
178 |
1145 |
|
|
10 |
A2 |
1133 |
1144 |
1.010 |
178 |
1146 |
|
|
11 |
A2 |
936 |
937 |
1.001 |
178 |
1147 |
|
|
12 |
A2 |
604 |
616 |
1.021 |
178 |
1148 |
|
|
13 |
B1 |
3104 |
3071 |
0.989 |
178 |
1149 |
|
|
14 |
B1 |
1066 |
1072 |
1.006 |
178 |
1150 |
|
|
15 |
B1 |
884 |
889 |
1.005 |
178 |
1151 |
|
|
16 |
B1 |
734 |
748 |
1.020 |
178 |
1152 |
|
|
17 |
B1 |
277 |
360 |
1.300 |
178 |
1153 |
|
|
18 |
B2 |
3120 |
3086 |
0.989 |
178 |
1154 |
|
|
19 |
B2 |
3028 |
2999 |
0.991 |
178 |
1155 |
|
|
20 |
B2 |
1417 |
1353 |
0.955 |
178 |
1156 |
|
|
21 |
B2 |
1111 |
1174 |
1.057 |
178 |
1157 |
|
|
22 |
B2 |
1036 |
1125 |
1.086 |
178 |
1158 |
|
|
23 |
B2 |
870 |
792 |
0.911 |
178 |
1159 |
|
|
24 |
B2 |
350 |
290 |
0.830 |
178 |
1160 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3360 |
3345 |
0.995 |
179 |
1161 |
|
|
2 |
A' |
2997 |
2985 |
0.996 |
179 |
1162 |
|
|
3 |
A' |
2949 |
2840 |
0.963 |
179 |
1163 |
|
|
4 |
A' |
2940 |
2860 |
0.973 |
179 |
1164 |
|
|
5 |
A' |
1621 |
1622 |
1.001 |
179 |
1165 |
|
|
6 |
A' |
1470 |
1487 |
1.011 |
179 |
1166 |
|
|
7 |
A' |
1451 |
1465 |
1.009 |
179 |
1167 |
|
|
8 |
A' |
1370 |
1378 |
1.006 |
179 |
1168 |
|
|
9 |
A' |
1344 |
1397 |
1.040 |
179 |
1169 |
|
|
10 |
A' |
1111 |
1016 |
0.914 |
179 |
1170 |
|
|
11 |
A' |
1004 |
1086 |
1.082 |
179 |
1171 |
|
|
12 |
A' |
873 |
892 |
1.022 |
179 |
1172 |
|
|
13 |
A' |
815 |
773 |
0.948 |
179 |
1173 |
|
|
14 |
A' |
389 |
403 |
1.035 |
179 |
1174 |
|
|
15 |
A" |
3434 |
3412 |
0.994 |
179 |
1175 |
|
|
16 |
A" |
3005 |
2924 |
0.973 |
179 |
1176 |
|
|
17 |
A" |
2970 |
2906 |
0.979 |
179 |
1177 |
|
|
18 |
A" |
1459 |
1455 |
0.997 |
179 |
1178 |
|
|
19 |
A" |
1354 |
1238 |
0.914 |
179 |
1179 |
|
|
20 |
A" |
1240 |
1293 |
1.043 |
179 |
1180 |
|
|
21 |
A" |
984 |
1117 |
1.135 |
179 |
1181 |
|
|
22 |
A" |
763 |
816 |
1.070 |
179 |
1182 |
|
|
23 |
A" |
276 |
259 |
0.938 |
179 |
1183 |
|
|
24 |
A" |
241 |
218 |
0.905 |
179 |
1184 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3115 |
3063 |
0.983 |
180 |
1185 |
|
|
2 |
A1 |
3087 |
3043 |
0.986 |
180 |
1186 |
|
|
3 |
A1 |
1546 |
1572 |
1.017 |
180 |
1187 |
|
|
4 |
A1 |
1425 |
1414 |
0.992 |
180 |
1188 |
|
|
5 |
A1 |
1152 |
1283 |
1.114 |
180 |
1189 |
|
|
6 |
A1 |
1124 |
1160 |
1.032 |
180 |
1190 |
|
|
7 |
A1 |
1045 |
1063 |
1.018 |
180 |
1191 |
|
|
8 |
A1 |
951 |
964 |
1.013 |
180 |
1192 |
|
|
9 |
A1 |
662 |
619 |
0.936 |
180 |
1193 |
|
|
10 |
A2 |
990 |
936 |
0.946 |
180 |
1194 |
|
|
11 |
A2 |
915 |
863 |
0.943 |
180 |
1195 |
|
|
12 |
A2 |
756 |
751 |
0.994 |
180 |
1196 |
|
|
13 |
A2 |
356 |
421 |
1.182 |
180 |
1197 |
|
|
14 |
B1 |
952 |
|
|
180 |
1198 |
|
|
15 |
B1 |
736 |
760 |
1.032 |
180 |
1199 |
|
|
16 |
B1 |
348 |
370 |
1.062 |
180 |
1200 |
|
|
17 |
B2 |
3102 |
3075 |
0.991 |
180 |
1201 |
|
|
18 |
B2 |
3083 |
3043 |
0.987 |
180 |
1202 |
|
|
19 |
B2 |
1536 |
1565 |
1.019 |
180 |
1203 |
|
|
20 |
B2 |
1397 |
1444 |
1.033 |
180 |
1204 |
|
|
21 |
B2 |
1267 |
1239 |
0.978 |
180 |
1205 |
|
|
22 |
B2 |
1054 |
1052 |
0.998 |
180 |
1206 |
|
|
23 |
B2 |
1029 |
1009 |
0.981 |
180 |
1207 |
|
|
24 |
B2 |
618 |
664 |
1.075 |
180 |
1208 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3112 |
3082 |
0.990 |
181 |
1209 |
|
|
2 |
A1 |
3080 |
3053 |
0.991 |
181 |
1210 |
|
|
3 |
A1 |
3065 |
3049 |
0.995 |
181 |
1211 |
|
|
4 |
A1 |
1537 |
1572 |
1.023 |
181 |
1212 |
|
|
5 |
A1 |
1384 |
1465 |
1.058 |
181 |
1213 |
|
|
6 |
A1 |
1124 |
1155 |
1.027 |
181 |
1214 |
|
|
7 |
A1 |
1051 |
1065 |
1.013 |
181 |
1215 |
|
|
8 |
A1 |
970 |
969 |
0.999 |
181 |
1216 |
|
|
9 |
A1 |
676 |
679 |
1.005 |
181 |
1217 |
|
|
10 |
A2 |
966 |
960 |
0.994 |
181 |
1218 |
|
|
11 |
A2 |
390 |
398 |
1.021 |
181 |
1219 |
|
|
12 |
B1 |
991 |
1033 |
1.043 |
181 |
1220 |
|
|
13 |
B1 |
952 |
980 |
1.030 |
181 |
1221 |
|
|
14 |
B1 |
798 |
804 |
1.007 |
181 |
1222 |
|
|
15 |
B1 |
721 |
719 |
0.997 |
181 |
1223 |
|
|
16 |
B1 |
329 |
347 |
1.054 |
181 |
1224 |
|
|
17 |
B2 |
3068 |
3047 |
0.993 |
181 |
1225 |
|
|
18 |
B2 |
1536 |
1569 |
1.021 |
181 |
1226 |
|
|
19 |
B2 |
1448 |
1411 |
0.974 |
181 |
1227 |
|
|
20 |
B2 |
1360 |
1356 |
0.997 |
181 |
1228 |
|
|
21 |
B2 |
1210 |
1224 |
1.012 |
181 |
1229 |
|
|
22 |
B2 |
1178 |
1158 |
0.983 |
181 |
1230 |
|
|
23 |
B2 |
1060 |
1071 |
1.011 |
181 |
1231 |
|
|
24 |
B2 |
618 |
621 |
1.005 |
181 |
1232 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3083 |
3055 |
0.991 |
182 |
1233 |
|
|
2 |
Ag |
1543 |
1580 |
1.024 |
182 |
1234 |
|
|
3 |
Ag |
1217 |
1233 |
1.013 |
182 |
1235 |
|
|
4 |
Ag |
1001 |
1016 |
1.015 |
182 |
1236 |
|
|
5 |
Ag |
597 |
602 |
1.009 |
182 |
1237 |
|
|
6 |
Au |
967 |
960 |
0.992 |
182 |
1238 |
|
|
7 |
Au |
321 |
350 |
1.091 |
182 |
1239 |
|
|
8 |
B1g |
916 |
927 |
1.012 |
182 |
1240 |
|
|
9 |
B1u |
3062 |
3012 |
0.984 |
182 |
1241 |
|
|
10 |
B1u |
1465 |
1483 |
1.012 |
182 |
1242 |
|
|
11 |
B1u |
1128 |
1130 |
1.002 |
182 |
1243 |
|
|
12 |
B1u |
1003 |
1018 |
1.015 |
182 |
1244 |
|
|
13 |
B2g |
959 |
983 |
1.025 |
182 |
1245 |
|
|
14 |
B2g |
758 |
756 |
0.997 |
182 |
1246 |
|
|
15 |
B2u |
3077 |
3069 |
0.998 |
182 |
1247 |
|
|
16 |
B2u |
1401 |
1411 |
1.007 |
182 |
1248 |
|
|
17 |
B2u |
1184 |
1149 |
0.970 |
182 |
1249 |
|
|
18 |
B2u |
1055 |
1063 |
1.008 |
182 |
1250 |
|
|
19 |
B3g |
3062 |
3040 |
0.993 |
182 |
1251 |
|
|
20 |
B3g |
1500 |
1525 |
1.017 |
182 |
1252 |
|
|
21 |
B3g |
1340 |
1346 |
1.004 |
182 |
1253 |
|
|
22 |
B3g |
700 |
704 |
1.006 |
182 |
1254 |
|
|
23 |
B3u |
777 |
785 |
1.010 |
182 |
1255 |
|
|
24 |
B3u |
416 |
418 |
1.005 |
182 |
1256 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3674 |
3675 |
1.000 |
183 |
1257 |
|
|
2 |
A |
3135 |
3102 |
0.989 |
183 |
1258 |
|
|
3 |
A |
3064 |
3022 |
0.986 |
183 |
1259 |
|
|
4 |
A |
3055 |
2995 |
0.980 |
183 |
1260 |
|
|
5 |
A |
2918 |
2934 |
1.005 |
183 |
1261 |
|
|
6 |
A |
2885 |
2866 |
0.993 |
183 |
1262 |
|
|
7 |
A |
1653 |
1654 |
1.000 |
183 |
1263 |
|
|
8 |
A |
1469 |
1453 |
0.989 |
183 |
1264 |
|
|
9 |
A |
1431 |
1414 |
0.988 |
183 |
1265 |
|
|
10 |
A |
1384 |
1384 |
1.000 |
183 |
1266 |
|
|
11 |
A |
1287 |
1320 |
1.026 |
183 |
1267 |
|
|
12 |
A |
1241 |
1293 |
1.042 |
183 |
1268 |
|
|
13 |
A |
1194 |
1191 |
0.998 |
183 |
1269 |
|
|
14 |
A |
1132 |
1132 |
1.000 |
183 |
1270 |
|
|
15 |
A |
1001 |
1110 |
1.109 |
183 |
1271 |
|
|
16 |
A |
978 |
1038 |
1.061 |
183 |
1272 |
|
|
17 |
A |
936 |
995 |
1.063 |
183 |
1273 |
|
|
18 |
A |
923 |
919 |
0.996 |
183 |
1274 |
|
|
19 |
A |
891 |
885 |
0.993 |
183 |
1275 |
|
|
20 |
A |
635 |
606 |
0.954 |
183 |
1276 |
|
|
22 |
A |
325 |
377 |
1.161 |
183 |
1277 |
|
|
23 |
A |
223 |
277 |
1.244 |
183 |
1278 |
|
|
24 |
A |
111 |
188 |
1.688 |
183 |
1279 |
CH3CH2CHO |
Propanal |
1 |
A' |
3033 |
2981 |
0.983 |
184 |
1280 |
|
|
2 |
A' |
2976 |
2904 |
0.976 |
184 |
1281 |
|
|
3 |
A' |
2925 |
2895 |
0.990 |
184 |
1282 |
|
|
4 |
A' |
2755 |
2809 |
1.019 |
184 |
1283 |
|
|
5 |
A' |
1728 |
1743 |
1.008 |
184 |
1284 |
|
|
6 |
A' |
1467 |
1460 |
0.995 |
184 |
1285 |
|
|
7 |
A' |
1412 |
1416 |
1.003 |
184 |
1286 |
|
|
8 |
A' |
1387 |
1390 |
1.002 |
184 |
1287 |
|
|
9 |
A' |
1373 |
1376 |
1.002 |
184 |
1288 |
|
|
10 |
A' |
1316 |
1335 |
1.014 |
184 |
1289 |
|
|
11 |
A' |
1074 |
1093 |
1.018 |
184 |
1290 |
|
|
12 |
A' |
974 |
993 |
1.019 |
184 |
1291 |
|
|
13 |
A' |
812 |
848 |
1.044 |
184 |
1292 |
|
|
14 |
A' |
651 |
668 |
1.025 |
184 |
1293 |
|
|
15 |
A' |
246 |
271 |
1.100 |
184 |
1294 |
|
|
16 |
A" |
3035 |
2992 |
0.986 |
184 |
1295 |
|
|
17 |
A" |
2937 |
2942 |
1.002 |
184 |
1296 |
|
|
18 |
A" |
1460 |
1451 |
0.994 |
184 |
1297 |
|
|
19 |
A" |
1246 |
1250 |
1.003 |
184 |
1298 |
|
|
20 |
A" |
1111 |
1118 |
1.007 |
184 |
1299 |
|
|
21 |
A" |
878 |
892 |
1.016 |
184 |
1300 |
|
|
22 |
A" |
651 |
660 |
1.014 |
184 |
1301 |
|
|
23 |
A" |
217 |
220 |
1.012 |
184 |
1302 |
|
|
24 |
A" |
123 |
135 |
1.098 |
184 |
1303 |
C3H6O |
Oxetane |
1 |
A1 |
3001 |
2959 |
0.986 |
185 |
1304 |
|
|
2 |
A1 |
2941 |
2930 |
0.996 |
185 |
1305 |
|
|
3 |
A1 |
1504 |
1473 |
0.979 |
185 |
1306 |
|
|
4 |
A1 |
1461 |
1461 |
1.000 |
185 |
1307 |
|
|
5 |
A1 |
1331 |
1342 |
1.009 |
185 |
1308 |
|
|
6 |
A1 |
995 |
1134 |
1.140 |
185 |
1309 |
|
|
7 |
A1 |
864 |
1018 |
1.179 |
185 |
1310 |
|
|
8 |
A1 |
782 |
908 |
1.161 |
185 |
1311 |
|
|
9 |
A2 |
2967 |
3000 |
1.011 |
185 |
1312 |
|
|
10 |
A2 |
1204 |
1283 |
1.066 |
185 |
1313 |
|
|
11 |
A2 |
1122 |
1185 |
1.057 |
185 |
1314 |
|
|
12 |
A2 |
821 |
986 |
1.201 |
185 |
1315 |
|
|
13 |
B1 |
3046 |
3007 |
0.987 |
185 |
1316 |
|
|
14 |
B1 |
2965 |
2940 |
0.992 |
185 |
1317 |
|
|
15 |
B1 |
1162 |
1225 |
1.054 |
185 |
1318 |
|
|
16 |
B1 |
1105 |
1142 |
1.034 |
185 |
1319 |
|
|
17 |
B1 |
753 |
836 |
1.111 |
185 |
1320 |
|
|
18 |
B1 |
51 |
90 |
1.763 |
185 |
1321 |
|
|
19 |
B2 |
2931 |
2966 |
1.012 |
185 |
1322 |
|
|
20 |
B2 |
1477 |
1508 |
1.021 |
185 |
1323 |
|
|
21 |
B2 |
1271 |
1458 |
1.147 |
185 |
1324 |
|
|
22 |
B2 |
1226 |
1363 |
1.112 |
185 |
1325 |
|
|
23 |
B2 |
956 |
1228 |
1.284 |
185 |
1326 |
|
|
24 |
B2 |
903 |
936 |
1.036 |
185 |
1327 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3064 |
2990 |
0.976 |
186 |
1328 |
|
|
2 |
A |
3046 |
2983 |
0.979 |
186 |
1329 |
|
|
3 |
A |
2970 |
2913 |
0.981 |
186 |
1330 |
|
|
4 |
A |
1441 |
1426 |
0.990 |
186 |
1331 |
|
|
5 |
A |
1426 |
1419 |
0.995 |
186 |
1332 |
|
|
6 |
A |
1300 |
1311 |
1.008 |
186 |
1333 |
|
|
7 |
A |
939 |
955 |
1.017 |
186 |
1334 |
|
|
8 |
A |
932 |
949 |
1.018 |
186 |
1335 |
|
|
9 |
A |
627 |
694 |
1.106 |
186 |
1336 |
|
|
10 |
A |
458 |
509 |
1.111 |
186 |
1337 |
|
|
11 |
A |
217 |
240 |
1.104 |
186 |
1338 |
|
|
12 |
A |
134 |
134 |
0.999 |
186 |
1339 |
|
|
13 |
A |
100 |
117 |
1.174 |
186 |
1340 |
|
|
14 |
B |
3064 |
2990 |
0.976 |
186 |
1341 |
|
|
15 |
B |
3045 |
2983 |
0.979 |
186 |
1342 |
|
|
16 |
B |
2969 |
2915 |
0.982 |
186 |
1343 |
|
|
17 |
B |
1444 |
1430 |
0.990 |
186 |
1344 |
|
|
18 |
B |
1422 |
1415 |
0.995 |
186 |
1345 |
|
|
19 |
B |
1294 |
1303 |
1.007 |
186 |
1346 |
|
|
20 |
B |
937 |
955 |
1.019 |
186 |
1347 |
|
|
21 |
B |
928 |
949 |
1.022 |
186 |
1348 |
|
|
22 |
B |
628 |
691 |
1.101 |
186 |
1349 |
|
|
23 |
B |
247 |
274 |
1.110 |
186 |
1350 |
|
|
24 |
B |
140 |
134 |
0.959 |
186 |
1351 |
C3H8 |
Propane |
1 |
A1 |
3008 |
2977 |
0.990 |
187 |
1352 |
|
|
2 |
A1 |
2951 |
2962 |
1.004 |
187 |
1353 |
|
|
3 |
A1 |
2941 |
2887 |
0.982 |
187 |
1354 |
|
|
4 |
A1 |
1480 |
1476 |
0.997 |
187 |
1355 |
|
|
5 |
A1 |
1458 |
1462 |
1.003 |
187 |
1356 |
|
|
6 |
A1 |
1388 |
1392 |
1.003 |
187 |
1357 |
|
|
7 |
A1 |
1145 |
1158 |
1.011 |
187 |
1358 |
|
|
8 |
A1 |
839 |
869 |
1.036 |
187 |
1359 |
|
|
9 |
A1 |
359 |
369 |
1.029 |
187 |
1360 |
|
|
10 |
A2 |
2996 |
2967 |
0.990 |
187 |
1361 |
|
|
11 |
A2 |
1458 |
1451 |
0.995 |
187 |
1362 |
|
|
12 |
A2 |
1286 |
1278 |
0.994 |
187 |
1363 |
|
|
13 |
A2 |
892 |
940 |
1.054 |
187 |
1364 |
|
|
14 |
A2 |
216 |
216 |
1.000 |
187 |
1365 |
|
|
15 |
B1 |
3007 |
2973 |
0.989 |
187 |
1366 |
|
|
16 |
B1 |
2956 |
2968 |
1.004 |
187 |
1367 |
|
|
17 |
B1 |
1474 |
1472 |
0.998 |
187 |
1368 |
|
|
18 |
B1 |
1184 |
1192 |
1.007 |
187 |
1369 |
|
|
19 |
B1 |
736 |
748 |
1.016 |
187 |
1370 |
|
|
20 |
B1 |
260 |
268 |
1.029 |
187 |
1371 |
|
|
21 |
B2 |
3006 |
2968 |
0.987 |
187 |
1372 |
|
|
22 |
B2 |
2947 |
2887 |
0.980 |
187 |
1373 |
|
|
23 |
B2 |
1464 |
1464 |
1.000 |
187 |
1374 |
|
|
24 |
B2 |
1369 |
1378 |
1.007 |
187 |
1375 |
|
|
25 |
B2 |
1333 |
1338 |
1.004 |
187 |
1376 |
|
|
26 |
B2 |
1017 |
1054 |
1.036 |
187 |
1377 |
|
|
27 |
B2 |
909 |
922 |
1.014 |
187 |
1378 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3148 |
3091 |
0.982 |
188 |
1379 |
|
|
2 |
A1 |
3123 |
3075 |
0.985 |
188 |
1380 |
|
|
3 |
A1 |
2940 |
2886 |
0.982 |
188 |
1381 |
|
|
4 |
A1 |
1488 |
1500 |
1.008 |
188 |
1382 |
|
|
5 |
A1 |
1376 |
1378 |
1.002 |
188 |
1383 |
|
|
6 |
A1 |
1359 |
1365 |
1.004 |
188 |
1384 |
|
|
7 |
A1 |
1103 |
1106 |
1.003 |
188 |
1385 |
|
|
8 |
A1 |
984 |
994 |
1.011 |
188 |
1386 |
|
|
9 |
A1 |
892 |
915 |
1.025 |
188 |
1387 |
|
|
10 |
A1 |
797 |
802 |
1.006 |
188 |
1388 |
|
|
11 |
A2 |
1090 |
1100 |
1.009 |
188 |
1389 |
|
|
12 |
A2 |
921 |
941 |
1.022 |
188 |
1390 |
|
|
13 |
A2 |
684 |
700 |
1.023 |
188 |
1391 |
|
|
14 |
A2 |
510 |
516 |
1.011 |
188 |
1392 |
|
|
15 |
B1 |
2954 |
2900 |
0.982 |
188 |
1393 |
|
|
16 |
B1 |
917 |
925 |
1.008 |
188 |
1394 |
|
|
17 |
B1 |
890 |
891 |
1.001 |
188 |
1395 |
|
|
18 |
B1 |
662 |
664 |
1.003 |
188 |
1396 |
|
|
19 |
B1 |
344 |
350 |
1.018 |
188 |
1397 |
|
|
20 |
B2 |
3142 |
3105 |
0.988 |
188 |
1398 |
|
|
21 |
B2 |
3113 |
3043 |
0.978 |
188 |
1399 |
|
|
22 |
B2 |
1577 |
1580 |
1.002 |
188 |
1400 |
|
|
23 |
B2 |
1281 |
1292 |
1.008 |
188 |
1401 |
|
|
24 |
B2 |
1221 |
1239 |
1.015 |
188 |
1402 |
|
|
25 |
B2 |
1086 |
1090 |
1.004 |
188 |
1403 |
|
|
26 |
B2 |
939 |
959 |
1.021 |
188 |
1404 |
|
|
27 |
B2 |
798 |
805 |
1.009 |
188 |
1405 |
C5H5N |
Pyridine |
1 |
A1 |
3112 |
3094 |
0.994 |
189 |
1406 |
|
|
2 |
A1 |
3089 |
3073 |
0.995 |
189 |
1407 |
|
|
3 |
A1 |
3063 |
3030 |
0.989 |
189 |
1408 |
|
|
4 |
A1 |
1560 |
1584 |
1.016 |
189 |
1409 |
|
|
5 |
A1 |
1469 |
1483 |
1.010 |
189 |
1410 |
|
|
6 |
A1 |
1208 |
1218 |
1.008 |
189 |
1411 |
|
|
7 |
A1 |
1064 |
1072 |
1.007 |
189 |
1412 |
|
|
8 |
A1 |
1021 |
1032 |
1.010 |
189 |
1413 |
|
|
9 |
A1 |
976 |
991 |
1.016 |
189 |
1414 |
|
|
10 |
A1 |
602 |
601 |
0.999 |
189 |
1415 |
|
|
11 |
A2 |
968 |
980 |
1.012 |
189 |
1416 |
|
|
12 |
A2 |
869 |
880 |
1.012 |
189 |
1417 |
|
|
13 |
A2 |
366 |
373 |
1.019 |
189 |
1418 |
|
|
14 |
B1 |
983 |
1007 |
1.024 |
189 |
1419 |
|
|
15 |
B1 |
927 |
937 |
1.011 |
189 |
1420 |
|
|
16 |
B1 |
742 |
744 |
1.003 |
189 |
1421 |
|
|
17 |
B1 |
699 |
700 |
1.002 |
189 |
1422 |
|
|
18 |
B1 |
405 |
403 |
0.995 |
189 |
1423 |
|
|
19 |
B2 |
3102 |
3087 |
0.995 |
189 |
1424 |
|
|
20 |
B2 |
3060 |
3042 |
0.994 |
189 |
1425 |
|
|
21 |
B2 |
1555 |
1581 |
1.016 |
189 |
1426 |
|
|
22 |
B2 |
1430 |
1442 |
1.008 |
189 |
1427 |
|
|
23 |
B2 |
1354 |
1362 |
1.006 |
189 |
1428 |
|
|
24 |
B2 |
1248 |
1227 |
0.983 |
189 |
1429 |
|
|
25 |
B2 |
1148 |
1143 |
0.996 |
189 |
1430 |
|
|
26 |
B2 |
1045 |
1079 |
1.032 |
189 |
1431 |
|
|
27 |
B2 |
653 |
652 |
0.999 |
189 |
1432 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3081 |
3035 |
0.985 |
190 |
1433 |
|
|
2 |
A' |
3075 |
3031 |
0.986 |
190 |
1434 |
|
|
3 |
A' |
2980 |
2966 |
0.995 |
190 |
1435 |
|
|
4 |
A' |
2976 |
2964 |
0.996 |
190 |
1436 |
|
|
5 |
A' |
1723 |
1771 |
1.028 |
190 |
1437 |
|
|
6 |
A' |
1462 |
1460 |
0.999 |
190 |
1438 |
|
|
7 |
A' |
1440 |
1440 |
1.000 |
190 |
1439 |
|
|
8 |
A' |
1425 |
1430 |
1.003 |
190 |
1440 |
|
|
9 |
A' |
1356 |
1375 |
1.014 |
190 |
1441 |
|
|
10 |
A' |
1191 |
1248 |
1.047 |
190 |
1442 |
|
|
11 |
A' |
1167 |
1159 |
0.993 |
190 |
1443 |
|
|
12 |
A' |
1010 |
1060 |
1.050 |
190 |
1444 |
|
|
13 |
A' |
939 |
980 |
1.043 |
190 |
1445 |
|
|
14 |
A' |
806 |
844 |
1.047 |
190 |
1446 |
|
|
15 |
A' |
617 |
639 |
1.035 |
190 |
1447 |
|
|
16 |
A' |
410 |
429 |
1.047 |
190 |
1448 |
|
|
17 |
A' |
271 |
303 |
1.118 |
190 |
1449 |
|
|
18 |
A" |
3040 |
3005 |
0.988 |
190 |
1450 |
|
|
19 |
A" |
3031 |
2994 |
0.988 |
190 |
1451 |
|
|
20 |
A" |
1445 |
1460 |
1.010 |
190 |
1452 |
|
|
21 |
A" |
1443 |
1430 |
0.991 |
190 |
1453 |
|
|
22 |
A" |
1133 |
1187 |
1.047 |
190 |
1454 |
|
|
23 |
A" |
1034 |
1036 |
1.002 |
190 |
1455 |
|
|
24 |
A" |
585 |
607 |
1.037 |
190 |
1456 |
|
|
25 |
A" |
173 |
187 |
1.079 |
190 |
1457 |
|
|
26 |
A" |
114 |
136 |
1.192 |
190 |
1458 |
|
|
27 |
A" |
10 |
110 |
11.166 |
190 |
1459 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3056 |
2989 |
0.978 |
191 |
1460 |
|
|
2 |
A1 |
3027 |
2941 |
0.972 |
191 |
1461 |
|
|
3 |
A1 |
2941 |
2911 |
0.990 |
191 |
1462 |
|
|
4 |
A1 |
1657 |
1661 |
1.003 |
191 |
1463 |
|
|
5 |
A1 |
1468 |
1470 |
1.001 |
191 |
1464 |
|
|
6 |
A1 |
1408 |
1416 |
1.006 |
191 |
1465 |
|
|
7 |
A1 |
1381 |
1366 |
0.989 |
191 |
1466 |
|
|
8 |
A1 |
1057 |
1064 |
1.007 |
191 |
1467 |
|
|
9 |
A1 |
786 |
801 |
1.019 |
191 |
1468 |
|
|
10 |
A1 |
372 |
383 |
1.031 |
191 |
1469 |
|
|
11 |
A2 |
2969 |
2970 |
1.000 |
191 |
1470 |
|
|
12 |
A2 |
1438 |
1459 |
1.015 |
191 |
1471 |
|
|
13 |
A2 |
997 |
1076 |
1.080 |
191 |
1472 |
|
|
14 |
A2 |
683 |
|
|
191 |
1473 |
|
|
15 |
A2 |
165 |
193 |
1.168 |
191 |
1474 |
|
|
16 |
B1 |
2971 |
2945 |
0.991 |
191 |
1475 |
|
|
17 |
B1 |
1455 |
1444 |
0.993 |
191 |
1476 |
|
|
18 |
B1 |
1077 |
1079 |
1.002 |
191 |
1477 |
|
|
19 |
B1 |
884 |
890 |
1.006 |
191 |
1478 |
|
|
20 |
B1 |
429 |
429 |
0.999 |
191 |
1479 |
|
|
21 |
B1 |
204 |
196 |
0.963 |
191 |
1480 |
|
|
22 |
B2 |
3130 |
3086 |
0.986 |
191 |
1481 |
|
|
23 |
B2 |
3025 |
2980 |
0.985 |
191 |
1482 |
|
|
24 |
B2 |
2935 |
2893 |
0.986 |
191 |
1483 |
|
|
25 |
B2 |
1450 |
1458 |
1.005 |
191 |
1484 |
|
|
26 |
B2 |
1371 |
1381 |
1.008 |
191 |
1485 |
|
|
27 |
B2 |
1254 |
1282 |
1.022 |
191 |
1486 |
|
|
28 |
B2 |
961 |
1043 |
1.085 |
191 |
1487 |
|
|
29 |
B2 |
932 |
974 |
1.045 |
191 |
1488 |
|
|
30 |
B2 |
430 |
430 |
1.000 |
191 |
1489 |
C6H6 |
Benzene |
1 |
A1g |
3114 |
3062 |
0.983 |
192 |
1490 |
|
|
2 |
A1g |
983 |
992 |
1.010 |
192 |
1491 |
|
|
3 |
A2g |
1354 |
1326 |
0.979 |
192 |
1492 |
|
|
4 |
A2u |
668 |
673 |
1.008 |
192 |
1493 |
|
|
5 |
B1u |
3078 |
3068 |
0.997 |
192 |
1494 |
|
|
6 |
B1u |
1006 |
1010 |
1.004 |
192 |
1495 |
|
|
7 |
B2g |
981 |
995 |
1.014 |
192 |
1496 |
|
|
8 |
B2g |
704 |
703 |
0.998 |
192 |
1497 |
|
|
9 |
B2u |
1306 |
1310 |
1.003 |
192 |
1498 |
|
|
10 |
B2u |
1153 |
1150 |
0.997 |
192 |
1499 |
|
|
11 |
E1g |
836 |
849 |
1.015 |
192 |
1500 |
|
|
12 |
E1u |
3103 |
3063 |
0.987 |
192 |
1501 |
|
|
13 |
E1u |
1475 |
1486 |
1.008 |
192 |
1502 |
|
|
14 |
E1u |
1031 |
1038 |
1.007 |
192 |
1503 |
|
|
15 |
E2g |
3088 |
3047 |
0.987 |
192 |
1504 |
|
|
16 |
E2g |
1575 |
1596 |
1.013 |
192 |
1505 |
|
|
17 |
E2g |
1171 |
1178 |
1.006 |
192 |
1506 |
|
|
18 |
E2g |
609 |
606 |
0.994 |
192 |
1507 |
|
|
19 |
E2u |
947 |
975 |
1.030 |
192 |
1508 |
|
|
20 |
E2u |
401 |
410 |
1.023 |
192 |
1509 |
C5H8 |
Cyclopentene |
1 |
A' |
3115 |
3066 |
0.984 |
193 |
1510 |
|
|
2 |
A' |
3015 |
2958 |
0.981 |
193 |
1511 |
|
|
3 |
A' |
2982 |
2916 |
0.978 |
193 |
1512 |
|
|
4 |
A' |
2959 |
2902 |
0.981 |
193 |
1513 |
|
|
5 |
A' |
2920 |
2852 |
0.977 |
193 |
1514 |
|
|
6 |
A' |
1619 |
1616 |
0.998 |
193 |
1515 |
|
|
7 |
A' |
1473 |
1467 |
0.996 |
193 |
1516 |
|
|
8 |
A' |
1451 |
1449 |
0.999 |
193 |
1517 |
|
|
9 |
A' |
1282 |
1302 |
1.015 |
193 |
1518 |
|
|
10 |
A' |
1196 |
1284 |
1.074 |
193 |
1519 |
|
|
11 |
A' |
1104 |
1213 |
1.099 |
193 |
1520 |
|
|
12 |
A' |
1041 |
1048 |
1.007 |
193 |
1521 |
|
|
13 |
A' |
940 |
964 |
1.025 |
193 |
1522 |
|
|
14 |
A' |
867 |
962 |
1.110 |
193 |
1523 |
|
|
15 |
A' |
792 |
904 |
1.142 |
193 |
1524 |
|
|
16 |
A' |
691 |
692 |
1.001 |
193 |
1525 |
|
|
17 |
A' |
609 |
603 |
0.991 |
193 |
1526 |
|
|
18 |
A' |
122 |
254 |
2.082 |
193 |
1527 |
|
|
19 |
A" |
3091 |
3039 |
0.983 |
193 |
1528 |
|
|
20 |
A" |
2964 |
2967 |
1.001 |
193 |
1529 |
|
|
21 |
A" |
2922 |
2927 |
1.002 |
193 |
1530 |
|
|
22 |
A" |
1454 |
1467 |
1.009 |
193 |
1531 |
|
|
23 |
A" |
1342 |
1432 |
1.067 |
193 |
1532 |
|
|
24 |
A" |
1283 |
1356 |
1.057 |
193 |
1533 |
|
|
25 |
A" |
1270 |
1302 |
1.025 |
193 |
1534 |
|
|
26 |
A" |
1189 |
1297 |
1.091 |
193 |
1535 |
|
|
27 |
A" |
1121 |
1207 |
1.077 |
193 |
1536 |
|
|
28 |
A" |
995 |
1113 |
1.118 |
193 |
1537 |
|
|
29 |
A" |
938 |
1082 |
1.153 |
193 |
1538 |
|
|
30 |
A" |
890 |
937 |
1.053 |
193 |
1539 |
|
|
31 |
A" |
863 |
800 |
0.927 |
193 |
1540 |
|
|
32 |
A" |
763 |
702 |
0.920 |
193 |
1541 |
|
|
33 |
A" |
382 |
387 |
1.014 |
193 |
1542 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3132 |
3080 |
0.983 |
194 |
1543 |
|
|
2 |
A |
3056 |
3012 |
0.986 |
194 |
1544 |
|
|
3 |
A |
3049 |
3012 |
0.988 |
194 |
1545 |
|
|
4 |
A |
2930 |
2900 |
0.990 |
194 |
1546 |
|
|
5 |
A |
1652 |
1644 |
0.995 |
194 |
1547 |
|
|
6 |
A |
1439 |
1433 |
0.996 |
194 |
1548 |
|
|
7 |
A |
1418 |
1413 |
0.996 |
194 |
1549 |
|
|
8 |
A |
1293 |
1295 |
1.001 |
194 |
1550 |
|
|
9 |
A |
1229 |
1263 |
1.028 |
194 |
1551 |
|
|
10 |
A |
1057 |
1120 |
1.059 |
194 |
1552 |
|
|
11 |
A |
1002 |
995 |
0.993 |
194 |
1553 |
|
|
12 |
A |
916 |
918 |
1.002 |
194 |
1554 |
|
|
13 |
A |
886 |
876 |
0.989 |
194 |
1555 |
|
|
14 |
A |
660 |
562 |
0.851 |
194 |
1556 |
|
|
15 |
A |
365 |
421 |
1.153 |
194 |
1557 |
|
|
16 |
A |
296 |
137 |
0.463 |
194 |
1558 |
|
|
17 |
A |
87 |
102 |
1.169 |
194 |
1559 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
2979 |
2953 |
0.991 |
195 |
1560 |
|
|
2 |
A1 |
2825 |
2775 |
0.982 |
195 |
1561 |
|
|
3 |
A1 |
1464 |
1459 |
0.997 |
195 |
1562 |
|
|
4 |
A1 |
1444 |
1444 |
1.000 |
195 |
1563 |
|
|
5 |
A1 |
1168 |
1186 |
1.015 |
195 |
1564 |
|
|
6 |
A1 |
787 |
828 |
1.052 |
195 |
1565 |
|
|
7 |
A1 |
346 |
367 |
1.061 |
195 |
1566 |
|
|
8 |
A2 |
3012 |
2977 |
0.988 |
195 |
1567 |
|
|
9 |
A2 |
1454 |
1453 |
0.999 |
195 |
1568 |
|
|
10 |
A2 |
1041 |
1046 |
1.005 |
195 |
1569 |
|
|
11 |
A2 |
249 |
255 |
1.023 |
195 |
1570 |
|
|
12 |
E |
3016 |
2981 |
0.988 |
195 |
1571 |
|
|
13 |
E |
2974 |
2953 |
0.993 |
195 |
1572 |
|
|
14 |
E |
2808 |
2776 |
0.989 |
195 |
1573 |
|
|
15 |
E |
1475 |
1471 |
0.997 |
195 |
1574 |
|
|
16 |
E |
1445 |
1444 |
0.999 |
195 |
1575 |
|
|
17 |
E |
1403 |
1409 |
1.004 |
195 |
1576 |
|
|
18 |
E |
1255 |
1275 |
1.016 |
195 |
1577 |
|
|
19 |
E |
1087 |
1103 |
1.015 |
195 |
1578 |
|
|
20 |
E |
1011 |
1043 |
1.032 |
195 |
1579 |
|
|
21 |
E |
408 |
424 |
1.039 |
195 |
1580 |
|
|
22 |
E |
260 |
281 |
1.081 |
195 |
1581 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
412 |
1442 |
3.501 |
196 |
1582 |
|
|
|
Ag |
810 |
1151 |
1.421 |
196 |
1583 |
|
|
|
Au |
1261 |
1257 |
0.997 |
196 |
1584 |
|
|
|
Bg |
1465 |
1300 |
0.887 |
196 |
1585 |
|
|
|
Bu |
2938 |
2870 |
0.977 |
196 |
1586 |
|
|
|
Bu |
2951 |
1461 |
0.495 |
196 |
1587 |
|
|
|
Bu |
3009 |
271 |
0.090 |
196 |
1588 |
C4H9N |
Pyrrolidine |
1 |
A' |
3408 |
3356 |
0.985 |
197 |
1589 |
|
|
2 |
A' |
3029 |
2975 |
0.982 |
197 |
1590 |
|
|
3 |
A' |
2996 |
2927 |
0.977 |
197 |
1591 |
|
|
4 |
A' |
2982 |
2889 |
0.969 |
197 |
1592 |
|
|
5 |
A' |
2836 |
2824 |
0.996 |
197 |
1593 |
|
|
6 |
A' |
1495 |
1484 |
0.993 |
197 |
1594 |
|
|
7 |
A' |
1472 |
1447 |
0.983 |
197 |
1595 |
|
|
8 |
A' |
1353 |
1292 |
0.955 |
197 |
1596 |
|
|
9 |
A' |
1277 |
1273 |
0.997 |
197 |
1597 |
|
|
10 |
A' |
1202 |
1228 |
1.022 |
197 |
1598 |
|
|
11 |
A' |
1189 |
1181 |
0.994 |
197 |
1599 |
|
|
12 |
A' |
1027 |
974 |
0.948 |
197 |
1600 |
|
|
13 |
A' |
975 |
920 |
0.944 |
197 |
1601 |
|
|
14 |
A' |
902 |
901 |
0.999 |
197 |
1602 |
|
|
15 |
A' |
862 |
871 |
1.010 |
197 |
1603 |
|
|
16 |
A' |
836 |
832 |
0.995 |
197 |
1604 |
|
|
17 |
A' |
741 |
789 |
1.064 |
197 |
1605 |
|
|
18 |
A' |
563 |
579 |
1.029 |
197 |
1606 |
|
|
19 |
A' |
289 |
299 |
1.035 |
197 |
1607 |
|
|
20 |
A" |
3008 |
2967 |
0.987 |
197 |
1608 |
|
|
21 |
A" |
2986 |
2916 |
0.977 |
197 |
1609 |
|
|
22 |
A" |
2978 |
2879 |
0.967 |
197 |
1610 |
|
|
23 |
A" |
2832 |
2818 |
0.995 |
197 |
1611 |
|
|
24 |
A" |
1478 |
1459 |
0.987 |
197 |
1612 |
|
|
25 |
A" |
1456 |
1412 |
0.969 |
197 |
1613 |
|
|
26 |
A" |
1394 |
1341 |
0.962 |
197 |
1614 |
|
|
27 |
A" |
1293 |
1268 |
0.981 |
197 |
1615 |
|
|
28 |
A" |
1269 |
1211 |
0.955 |
197 |
1616 |
|
|
29 |
A" |
1213 |
1203 |
0.992 |
197 |
1617 |
|
|
30 |
A" |
1165 |
1171 |
1.005 |
197 |
1618 |
|
|
31 |
A" |
1094 |
1099 |
1.005 |
197 |
1619 |
|
|
32 |
A" |
1052 |
1023 |
0.973 |
197 |
1620 |
|
|
33 |
A" |
893 |
883 |
0.988 |
197 |
1621 |
|
|
34 |
A" |
847 |
848 |
1.001 |
197 |
1622 |
|
|
35 |
A" |
623 |
600 |
0.963 |
197 |
1623 |
|
|
36 |
A" |
87 |
65 |
0.747 |
197 |
1624 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3003 |
2968 |
0.988 |
198 |
1625 |
|
|
2 |
Ag |
2891 |
2856 |
0.988 |
198 |
1626 |
|
|
3 |
Ag |
1450 |
1444 |
0.996 |
198 |
1627 |
|
|
4 |
Ag |
1367 |
1397 |
1.022 |
198 |
1628 |
|
|
5 |
Ag |
1283 |
1305 |
1.017 |
198 |
1629 |
|
|
6 |
Ag |
1108 |
1128 |
1.018 |
198 |
1630 |
|
|
7 |
Ag |
966 |
1015 |
1.051 |
198 |
1631 |
|
|
8 |
Ag |
800 |
837 |
1.046 |
198 |
1632 |
|
|
9 |
Ag |
425 |
435 |
1.024 |
198 |
1633 |
|
|
10 |
Ag |
397 |
424 |
1.069 |
198 |
1634 |
|
|
11 |
Au |
3002 |
2970 |
0.989 |
198 |
1635 |
|
|
12 |
Au |
2883 |
2863 |
0.993 |
198 |
1636 |
|
|
13 |
Au |
1439 |
1449 |
1.007 |
198 |
1637 |
|
|
14 |
Au |
1341 |
1369 |
1.021 |
198 |
1638 |
|
|
15 |
Au |
1238 |
1256 |
1.015 |
198 |
1639 |
|
|
16 |
Au |
1073 |
1136 |
1.059 |
198 |
1640 |
|
|
17 |
Au |
1050 |
1086 |
1.034 |
198 |
1641 |
|
|
18 |
Au |
854 |
881 |
1.032 |
198 |
1642 |
|
|
19 |
Au |
237 |
288 |
1.217 |
198 |
1643 |
|
|
20 |
Bg |
3002 |
2968 |
0.989 |
198 |
1644 |
|
|
21 |
Bg |
2897 |
2856 |
0.986 |
198 |
1645 |
|
|
22 |
Bg |
1441 |
1459 |
1.013 |
198 |
1646 |
|
|
23 |
Bg |
1321 |
1335 |
1.011 |
198 |
1647 |
|
|
24 |
Bg |
1196 |
1217 |
1.017 |
198 |
1648 |
|
|
25 |
Bg |
1054 |
1110 |
1.053 |
198 |
1649 |
|
|
26 |
Bg |
828 |
853 |
1.030 |
198 |
1650 |
|
|
27 |
Bg |
475 |
490 |
1.031 |
198 |
1651 |
|
|
28 |
Bu |
3002 |
2970 |
0.989 |
198 |
1652 |
|
|
29 |
Bu |
2902 |
2863 |
0.987 |
198 |
1653 |
|
|
30 |
Bu |
1446 |
1457 |
1.008 |
198 |
1654 |
|
|
31 |
Bu |
1366 |
1378 |
1.009 |
198 |
1655 |
|
|
32 |
Bu |
1272 |
1291 |
1.015 |
198 |
1656 |
|
|
33 |
Bu |
1028 |
1052 |
1.024 |
198 |
1657 |
|
|
34 |
Bu |
830 |
889 |
1.071 |
198 |
1658 |
|
|
35 |
Bu |
594 |
610 |
1.027 |
198 |
1659 |
|
|
36 |
Bu |
252 |
274 |
1.087 |
198 |
1660 |
C8H8 |
cubane |
1 |
A1g |
3043 |
2995 |
0.984 |
199 |
1661 |
|
|
2 |
A1g |
975 |
1002 |
1.027 |
199 |
1662 |
|
|
3 |
A2u |
3007 |
2978 |
0.990 |
199 |
1663 |
|
|
4 |
A2u |
1020 |
839 |
0.823 |
199 |
1664 |
|
|
5 |
Eg |
1062 |
1083 |
1.020 |
199 |
1665 |
|
|
6 |
Eg |
878 |
912 |
1.039 |
199 |
1666 |
|
|
7 |
Eu |
1145 |
1151 |
1.005 |
199 |
1667 |
|
|
8 |
Eu |
602 |
617 |
1.025 |
199 |
1668 |
|
|
9 |
T1g |
1127 |
1130 |
1.003 |
199 |
1669 |
|
|
10 |
T1u |
3024 |
2978 |
0.985 |
199 |
1670 |
|
|
11 |
T1u |
1219 |
1230 |
1.009 |
199 |
1671 |
|
|
12 |
T1u |
829 |
853 |
1.029 |
199 |
1672 |
|
|
13 |
T2g |
3017 |
2970 |
0.984 |
199 |
1673 |
|
|
14 |
T2g |
1168 |
1182 |
1.012 |
199 |
1674 |
|
|
15 |
T2g |
802 |
821 |
1.024 |
199 |
1675 |
|
|
16 |
T2g |
661 |
665 |
1.007 |
199 |
1676 |
|
|
17 |
T2u |
1015 |
1036 |
1.020 |
199 |
1677 |
|
|
18 |
T2u |
800 |
829 |
1.037 |
199 |
1678 |
C5H11N |
Piperidine |
1 |
A' |
3408 |
3341 |
0.980 |
200 |
1679 |
|
|
2 |
A' |
2987 |
2947 |
0.986 |
200 |
1680 |
|
|
3 |
A' |
2980 |
2931 |
0.984 |
200 |
1681 |
|
|
4 |
A' |
2974 |
2917 |
0.981 |
200 |
1682 |
|
|
5 |
A' |
2947 |
2892 |
0.981 |
200 |
1683 |
|
|
6 |
A' |
2930 |
2850 |
0.973 |
200 |
1684 |
|
|
7 |
A' |
2809 |
2730 |
0.972 |
200 |
1685 |
|
|
8 |
A' |
1470 |
1476 |
1.004 |
200 |
1686 |
|
|
9 |
A' |
1457 |
1452 |
0.996 |
200 |
1687 |
|
|
10 |
A' |
1453 |
1444 |
0.994 |
200 |
1688 |
|
|
11 |
A' |
1377 |
1386 |
1.006 |
200 |
1689 |
|
|
12 |
A' |
1340 |
1365 |
1.019 |
200 |
1690 |
|
|
13 |
A' |
1273 |
1346 |
1.058 |
200 |
1691 |
|
|
14 |
A' |
1254 |
1266 |
1.010 |
200 |
1692 |
|
|
15 |
A' |
1134 |
1164 |
1.026 |
200 |
1693 |
|
|
16 |
A' |
1035 |
1035 |
1.000 |
200 |
1694 |
|
|
17 |
A' |
1012 |
1006 |
0.994 |
200 |
1695 |
|
|
18 |
A' |
881 |
906 |
1.029 |
200 |
1696 |
|
|
19 |
A' |
839 |
853 |
1.017 |
200 |
1697 |
|
|
20 |
A' |
787 |
822 |
1.045 |
200 |
1698 |
|
|
21 |
A' |
729 |
743 |
1.020 |
200 |
1699 |
|
|
22 |
A' |
533 |
546 |
1.025 |
200 |
1700 |
|
|
23 |
A' |
424 |
432 |
1.018 |
200 |
1701 |
|
|
24 |
A' |
382 |
404 |
1.059 |
200 |
1702 |
|
|
25 |
A' |
238 |
246 |
1.035 |
200 |
1703 |
|
|
26 |
A" |
2982 |
2940 |
0.986 |
200 |
1704 |
|
|
27 |
A" |
2978 |
2902 |
0.975 |
200 |
1705 |
|
|
28 |
A" |
2948 |
2850 |
0.967 |
200 |
1706 |
|
|
29 |
A" |
2802 |
2803 |
1.000 |
200 |
1707 |
|
|
30 |
A" |
1457 |
1468 |
1.007 |
200 |
1708 |
|
|
31 |
A" |
1445 |
1460 |
1.010 |
200 |
1709 |
|
|
32 |
A" |
1440 |
1436 |
0.997 |
200 |
1710 |
|
|
33 |
A" |
1334 |
1332 |
0.998 |
200 |
1711 |
|
|
34 |
A" |
1329 |
1318 |
0.992 |
200 |
1712 |
|
|
35 |
A" |
1305 |
1285 |
0.985 |
200 |
1713 |
|
|
36 |
A" |
1259 |
1258 |
0.999 |
200 |
1714 |
|
|
37 |
A" |
1147 |
1191 |
1.039 |
200 |
1715 |
|
|
38 |
A" |
1136 |
1146 |
1.009 |
200 |
1716 |
|
|
39 |
A" |
1067 |
1115 |
1.045 |
200 |
1717 |
|
|
40 |
A" |
1026 |
1052 |
1.025 |
200 |
1718 |
|
|
41 |
A" |
956 |
964 |
1.008 |
200 |
1719 |
|
|
42 |
A" |
845 |
874 |
1.034 |
200 |
1720 |
|
|
43 |
A" |
797 |
810 |
1.016 |
200 |
1721 |
|
|
44 |
A" |
442 |
445 |
1.007 |
200 |
1722 |
|
|
45 |
A" |
236 |
254 |
1.078 |
200 |
1723 |
C6H12 |
Cyclohexane |
1 |
A1g |
2972 |
2930 |
0.986 |
201 |
1724 |
|
|
2 |
A1g |
2921 |
2852 |
0.976 |
201 |
1725 |
|
|
3 |
A1g |
1475 |
1465 |
0.994 |
201 |
1726 |
|
|
4 |
A1g |
1151 |
1157 |
1.006 |
201 |
1727 |
|
|
5 |
A1g |
770 |
802 |
1.041 |
201 |
1728 |
|
|
6 |
A1g |
365 |
383 |
1.048 |
201 |
1729 |
|
|
7 |
A1u |
1327 |
1383 |
1.042 |
201 |
1730 |
|
|
8 |
A1u |
1101 |
1157 |
1.050 |
201 |
1731 |
|
|
9 |
A1u |
1043 |
1057 |
1.013 |
201 |
1732 |
|
|
10 |
A2g |
1320 |
1437 |
1.089 |
201 |
1733 |
|
|
11 |
A2g |
1049 |
1090 |
1.039 |
201 |
1734 |
|
|
12 |
A2u |
2977 |
2915 |
0.979 |
201 |
1735 |
|
|
13 |
A2u |
2934 |
2860 |
0.975 |
201 |
1736 |
|
|
14 |
A2u |
1462 |
1437 |
0.983 |
201 |
1737 |
|
|
15 |
A2u |
1014 |
1030 |
1.016 |
201 |
1738 |
|
|
16 |
A2u |
512 |
523 |
1.021 |
201 |
1739 |
|
|
17 |
Eg |
2969 |
2930 |
0.987 |
201 |
1740 |
|
|
18 |
Eg |
2930 |
2897 |
0.989 |
201 |
1741 |
|
|
19 |
Eg |
1451 |
1443 |
0.994 |
201 |
1742 |
|
|
20 |
Eg |
1334 |
1347 |
1.010 |
201 |
1743 |
|
|
21 |
Eg |
1254 |
1266 |
1.009 |
201 |
1744 |
|
|
22 |
Eg |
1001 |
1027 |
1.026 |
201 |
1745 |
|
|
23 |
Eg |
771 |
785 |
1.019 |
201 |
1746 |
|
|
24 |
Eg |
418 |
426 |
1.019 |
201 |
1747 |
|
|
25 |
Eu |
2968 |
2933 |
0.988 |
201 |
1748 |
|
|
26 |
Eu |
2921 |
2863 |
0.980 |
201 |
1749 |
|
|
27 |
Eu |
1454 |
1457 |
1.002 |
201 |
1750 |
|
|
28 |
Eu |
1349 |
1355 |
1.004 |
201 |
1751 |
|
|
29 |
Eu |
1255 |
1261 |
1.005 |
201 |
1752 |
|
|
30 |
Eu |
896 |
907 |
1.013 |
201 |
1753 |
|
|
31 |
Eu |
830 |
863 |
1.040 |
201 |
1754 |
|
|
32 |
Eu |
222 |
248 |
1.119 |
201 |
1755 |
C6H14 |
Hexane |
1 |
Ag |
3007 |
2966 |
0.986 |
202 |
1756 |
|
|
2 |
Ag |
2950 |
2877 |
0.975 |
202 |
1757 |
|
|
3 |
Ag |
2936 |
2863 |
0.975 |
202 |
1758 |
|
|
4 |
Ag |
2918 |
2852 |
0.977 |
202 |
1759 |
|
|
5 |
Ag |
1475 |
1460 |
0.990 |
202 |
1760 |
|
|
6 |
Ag |
1459 |
1460 |
1.001 |
202 |
1761 |
|
|
7 |
Ag |
1451 |
1440 |
0.993 |
202 |
1762 |
|
|
8 |
Ag |
1379 |
1397 |
1.013 |
202 |
1763 |
|
|
9 |
Ag |
1350 |
1366 |
1.012 |
202 |
1764 |
|
|
10 |
Ag |
1309 |
1305 |
0.997 |
202 |
1765 |
|
|
11 |
Ag |
1122 |
1140 |
1.016 |
202 |
1766 |
|
|
12 |
Ag |
1027 |
1065 |
1.037 |
202 |
1767 |
|
|
13 |
Ag |
967 |
1007 |
1.041 |
202 |
1768 |
|
|
14 |
Ag |
879 |
901 |
1.025 |
202 |
1769 |
|
|
15 |
Ag |
353 |
371 |
1.050 |
202 |
1770 |
|
|
16 |
Ag |
287 |
305 |
1.064 |
202 |
1771 |
|
|
17 |
Au |
3004 |
2967 |
0.988 |
202 |
1772 |
|
|
18 |
Au |
2972 |
2936 |
0.988 |
202 |
1773 |
|
|
19 |
Au |
2943 |
2920 |
0.992 |
202 |
1774 |
|
|
20 |
Au |
1467 |
1460 |
0.995 |
202 |
1775 |
|
|
21 |
Au |
1302 |
1303 |
1.001 |
202 |
1776 |
|
|
22 |
Au |
1225 |
1222 |
0.998 |
202 |
1777 |
|
|
23 |
Au |
996 |
1010 |
1.014 |
202 |
1778 |
|
|
24 |
Au |
791 |
824 |
1.042 |
202 |
1779 |
|
|
25 |
Au |
716 |
726 |
1.013 |
202 |
1780 |
|
|
26 |
Au |
244 |
216 |
0.884 |
202 |
1781 |
|
|
27 |
Au |
98 |
94 |
0.955 |
202 |
1782 |
|
|
28 |
Au |
68 |
61 |
0.895 |
202 |
1783 |
|
|
29 |
Bg |
3003 |
2966 |
0.988 |
202 |
1784 |
|
|
30 |
Bg |
2959 |
2908 |
0.983 |
202 |
1785 |
|
|
31 |
Bg |
2931 |
2908 |
0.992 |
202 |
1786 |
|
|
32 |
Bg |
1467 |
1460 |
0.995 |
202 |
1787 |
|
|
33 |
Bg |
1302 |
1305 |
1.002 |
202 |
1788 |
|
|
34 |
Bg |
1276 |
1283 |
1.005 |
202 |
1789 |
|
|
35 |
Bg |
1177 |
1168 |
0.992 |
202 |
1790 |
|
|
36 |
Bg |
888 |
894 |
1.006 |
202 |
1791 |
|
|
37 |
Bg |
731 |
740 |
1.012 |
202 |
1792 |
|
|
38 |
Bg |
234 |
208 |
0.890 |
202 |
1793 |
|
|
39 |
Bg |
141 |
125 |
0.885 |
202 |
1794 |
|
|
40 |
Bu |
3007 |
2967 |
0.987 |
202 |
1795 |
|
|
41 |
Bu |
2950 |
2884 |
0.978 |
202 |
1796 |
|
|
42 |
Bu |
2940 |
2867 |
0.975 |
202 |
1797 |
|
|
43 |
Bu |
2923 |
2851 |
0.975 |
202 |
1798 |
|
|
44 |
Bu |
1482 |
1476 |
0.996 |
202 |
1799 |
|
|
45 |
Bu |
1467 |
1465 |
0.999 |
202 |
1800 |
|
|
46 |
Bu |
1452 |
1452 |
1.000 |
202 |
1801 |
|
|
47 |
Bu |
1377 |
1387 |
1.008 |
202 |
1802 |
|
|
48 |
Bu |
1346 |
1375 |
1.021 |
202 |
1803 |
|
|
49 |
Bu |
1249 |
1249 |
1.000 |
202 |
1804 |
|
|
50 |
Bu |
1044 |
1061 |
1.016 |
202 |
1805 |
|
|
51 |
Bu |
1009 |
1035 |
1.025 |
202 |
1806 |
|
|
52 |
Bu |
855 |
888 |
1.039 |
202 |
1807 |
|
|
53 |
Bu |
452 |
470 |
1.041 |
202 |
1808 |
|
|
54 |
Bu |
129 |
139 |
1.081 |
202 |
1809 |